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Автор: Grafiati
Опубліковано: 7 липня 2024

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1

Miyazaki, Yuzuru, Naoki Igawa та Kunio Yubuta. "Incommensurately modulated crystal structure of α′ (O′3)-type sodium cobalt oxide Na x CoO2 (x ∼ 0.78)". Acta Crystallographica Section B Structural Science, Crystal Engineering and Materials 77, № 3 (14 травня 2021): 371–77. http://dx.doi.org/10.1107/s205252062100370x.

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A single-phase sample of α′ (O′3)-type layered sodium cobalt oxide Na x CoO2 (x ∼ 0.78) was prepared and its incommensurately modulated crystal structure was analyzed using the (3+1)-dimensional superspace approach to the powder neutron diffraction data. The crystal structure of the cobaltate is accurately described based on the superspace group C2/m(α0γ)00, wherein the positions of Na atoms are most significantly modulated in the monoclinic a direction to form an ordered arrangement. Such a displacive modulation causes a quasi-periodic shift of Na atoms from the centers of the NaO6 polyhedra between undulated CoO2 sheets, changing the form of the NaO6 polyhedron from an octahedral coordination (O) to a trigonal prismatic (P) one, via an intermediate capped trigonal prismatic NaO7 coordination (C). At the positions where the Na atoms are most significantly shifted, the neighboring Na atoms are located at almost touching distances. However, the occupation factor of Na atoms becomes zero at such positions, yielding Na-deficient sites V Na, sandwiched either between C and P, or C and C-type polyhedra.
2

Stetskiv, Andrij, Beata Rozdzynska-Kielbik, Renata Misztal, and Volodymyr Pavlyuk. "Grown from lithium flux, the ErCo5Si3.17silicide is a combination of disordered derivatives of the UCo5Si3and Yb6Co30P19structure types." Acta Crystallographica Section C Structural Chemistry 71, no. 6 (May 29, 2015): 506–10. http://dx.doi.org/10.1107/s2053229615009791.

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A ternary hexaerbium triacontacobalt enneakaidecasilicide, ErCo5Si3.17, crystallizes as a combination of disordered variants of the hexagonal UCo5Si3(P63/m) and Yb6Co30P19(P-6) structure types and is closely related to the Sc6Co30Si19and Ce6Rh30Si19types. The Er, Co and three of the Si atoms occupy sites ofm.. symmetry and a fourth Si atom occupies a site of -6.. symmetry. The environment of the Er atom is a 21-vertex pseudo-Frank–Kasper polyhedron. Trigonal prismatic coordination is observed for the Si atoms. The Co atoms are enclosed in heavily deformed cuboctahedra and 11-vertex polyhedra. Crystallochemistry analysis and the data from electronic structure calculations (TB–LMTO–ASA) suggest that the Er atoms form positively charged cations which compensate the negative charge of the [Co12Si9]m−polyanions.
3

Stetskiv, Andrij, Renata Misztal, and Volodymyr Pavlyuk. "Crystal and electronic structures of La2LiGe6−x(x= 0.21) and La2LiGe4Si2." Acta Crystallographica Section C Crystal Structure Communications 68, no. 8 (July 25, 2012): i60—i64. http://dx.doi.org/10.1107/s0108270112031526.

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The synthesis and characterization of a new ternary dilanthanum lithium hexagermanide, La2LiGe6−x(x= 0.21), belonging to the Pr2LiGe6structure type, and a quaternary dilanthanum lithium tetragermanium disilicide, La2LiGe4Si2, which crystallizes as an ordered variant of this type, are reported. In both structures, Li is on a site ofmmmsymmetry. All other atoms are on sites ofm2msymmetry. These structures are new representatives of a homologous linear structure series based on structural fragments of the AlB2, CaF2and ZrSi2structure types. The observed 17-vertex polyhedra are typical for La atoms and the environment of the Li atom is cubic. Two Ge atoms are enclosed in a tetragonal prism with one added atom (nine-vertex polyhedron). The trigonal prismatic coordination is typical for Ge or Si atoms. The metallic nature of the bonding is indicated by the interatomic distances and electronic structure calculations.
4

Amarante, Eduardo Menezes de Souza, and Edson Emanoel Starteri Sampaio. "Analysis of magnetic field components anomalies due to homogeneous polyhedrons." Brazilian Journal of Geophysics 39, no. 1 (March 6, 2021): 85. http://dx.doi.org/10.22564/rbgf.v38i3.2078.

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ABSTRACT. A procedure for determining semi-analytical expressions for the magnetic fields caused by homogeneous polyhedral bodies based on Green's theorem has been developed. It constitutes a modification of previous developments for the gravity field of three-dimensional bodies and employs the discretization of the faces of the polyhedron by triangles and the definition of local coordinates for each triangle. A maximum misfit of less than 1.0% between the values computed with these analytical expressions and those obtained with closed expressions for prismatic bodies, applied to a homogeneous cube, demonstrates the effectiveness of the procedure. Examples of magnetic maps due to octahedral bodies with different forms and orientations show that it is possible to obtain a qualitative distinction among their anomalies. Therefore, the present analysis constitutes a basis for future inverse modeling of convex polyhedrons and will be useful in geophysical exploration.Keywords: magnetic anomalies, polyhedral bodies, irregular shapes. Análise das componentes do campo magnético produzido por um poliedro homogêneoRESUMO. Foi desenvolvido um procedimento para determinar expressões analíticas para os campos magnéticos causados por corpos poliédricos homogêneos com base no teorema de Green. Constitui uma modificação dos desenvolvimentos anteriores para o campo gravitacional de corpos tridimensionais e emprega a discretização das faces do poliedro por triângulos e a definição das coordenadas locais para cada triângulo. Um erro máximo inferior a 1,0% entre os valores calculados com essas expressões analíticas e os obtidos com expressões fechadas para corpos prismáticos, aplicados a um cubo homogêneo, demonstra a eficácia do procedimento. Exemplos de mapas magnéticos devido a corpos octaédricos com diferentes formas e orientações mostram que é possível obter uma distinção qualitativa entre suas anomalias. Portanto, a presente análise constitui uma base para futura modelagem inversa de poliedros convexos e será útil na exploração geofísica.Palavras-chaves: anomalias magnéticas, corpos poliédricos, formas irregulares. How to cite:AMARANTE EMS & SAMPAIO EES. 2021. Analysis of magnetic field components anomalies due to homogeneous polyhedrons. Brazilian Journal of Geophysics, v. 39, n. 1. doi: 10.22564/rbgf.v38i3.2078
5

Xu, Jianjun, He Xu, Dongming Yan, Kai Chen, and Degao Zou. "A Novel Calculation Method of Hydrodynamic Pressure Based on Polyhedron SBFEM and Its Application in Nonlinear Cross-Scale CFRD-Reservoir Systems." Water 14, no. 6 (March 10, 2022): 867. http://dx.doi.org/10.3390/w14060867.

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Hydrodynamic pressure is an important factor that cannot be ignored in the seismic safety evaluation of dams. However, when the polyhedron-scaled boundary finite element method is used to simulate dams in a cross-scale dynamic analysis, polygonal surfaces often appear on the upstream face of dams, which is difficult to deal with for conventional methods of hydrodynamic pressure. In this paper, a three-dimensional calculation method of hydrodynamic pressure based on the polyhedron-scaled boundary finite element method is proposed, in which polygon (triangle, quadrilateral, pentagon, hexagon, heptagon, octagon, etc.) semi-infinite prismatic fluid elements are constructed using the mean-value shape function. The proposed method, with a high efficiency, overcomes the limitation of conventional methods in which only quadrangle or triangle boundary faces of elements are permitted. The accuracy of the proposed method is proved to be high when considering various factors. Furthermore, combined with the polyhedron-scaled boundary finite element method for a solid dam, the proposed method for reservoir water is used to develop a nonlinear dynamic coupling method for cross-scale concrete-faced rockfill dam-reservoir systems based on the polyhedron SBFEM. The results of the numerical analysis show that when the hydrodynamic pressure is not considered, the error of rockfill dynamic acceleration and displacement could reach 15.4% and 12.7%, respectively, and the error of dynamic face slabs’ stresses could be 24.9%, which is not conducive to a reasonable seismic safety evaluation of dams.
6

Hossain, G. M. Golzar, та A. J. Amoroso. "Bis[4-amino-N-(4-methylpyrimidin-2-yl-κN3)benzenesulfonamidato-κN](2,2′-bipyridine-κ2N,N′)mercury(II)". Acta Crystallographica Section E Structure Reports Online 70, № 4 (8 березня 2014): m127—m128. http://dx.doi.org/10.1107/s1600536814004760.

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The complete molecule of the title complex, [Hg(C11H11N4O2S)2(C10H8N2)], is generated by crystallographic twofold symmetry, with the mercury cation lying on the rotation axis. The mercury coordination polyhedron can be described as tetrahedral (from theN,N′-bidenate bipyridine molecule and the sulfonamide N atoms of the sulfamerazine anions) or as squashed trigonal-prismatic, if two long (> 2.80 Å) Hg—N bonds to pyrimidine N atoms are included. The dihedral angle between the aromatic rings in the anion is 73.3 (2)°. In the crystal, N—H...(N,O) and N—H...N hydrogen bonds link the molecules into a three-dimensional network.
7

Prytula-Kurkunova, Angelina Yu, Victor A. Trush, Viktoriya V. Dyakonenko, Tetyana Yu Sliva та Vladimir M. Amirkhanov. "Tris(N-{bis[methyl(phenyl)amino]phosphoryl}benzenesulfonamidato-κ2O,O′)(1,10-phenanthroline-κ2N,N′)lanthanum(III)". Acta Crystallographica Section E Crystallographic Communications 73, № 7 (27 червня 2017): 1076–81. http://dx.doi.org/10.1107/s2056989017008970.

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The asymmetric unit of [La(C20H21N3O3PS)3(C12H8N2)] is created by one LaIIIion, three deprotonatedN-{bis[methyl(phenyl)amino]phosphoryl}benzenesulfonamidate (L−) ligands and one 1,10-phenanthroline (Phen) molecule. Each LaIIIion is eight-coordinated (6O+2N) by three phosphoryl O atoms, three sulfonyl O atoms of threeL−ligands and two N atoms of the chelating Phen ligand, leading to the formation of six- and five-membered metallacycles, respectively. The lanthanum coordination polyhedron has a bicapped trigonal–prismatic geometry. `Sandwich-like' intramolecular π–π stacking interactions are observed between the 1,10-phenanthroline ligand and two benzene rings of two differentL−ligands. The phenyl rings ofL−that are not involved in the stacking interactions show minor positional disorder. Molecules form layers parallel to the (010) plane due to weak C—H...O intermolecular hydrogen bonds. Unidentified highly disordered solvate molecules that occupyca400 Å3large voids have been omitted from the refinement model.
8

Shah, Jay A., Samuel R. Miller, Shaphan R. Jernigan, and Gregory D. Buckner. "A Permanent Magnet Synchronous Spherical Motor for High-Mobility Servo-Actuation." Machines 10, no. 8 (July 26, 2022): 612. http://dx.doi.org/10.3390/machines10080612.

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The development of direct-drive spherical motors offers a potential solution to the limitations of conventional multiple degree-of-freedom (DOF) actuators, which typically utilize single-DOF joints (rotational and/or prismatic), arranged in series or parallel and powered by multiple single-DOF actuators. These configurations can be accompanied by kinematic singularities, backlash, limited power density and efficiency, and computationally expensive inverse kinematics. This paper details the design, fabrication and experimental testing of permanent magnet synchronous spherical motors (PMSSM) for multi-DOF servo-actuation. Its stator-pole arrangement is based on a Goldberg polyhedron, with each pole comprised of hexagonal or pentagonal inner and outer plates. The stator geometry and winding configurations are optimized using electromagnetic finite element analysis. A custom-made controller board includes a microcontroller, servo drivers, a wireless serial interface, and a USB PC interface. Angular orientation is sensed using an inertial measurement unit in wireless communication with the microcontroller. A PID controller is implemented and demonstrated for time-varying reference trajectories.
9

Gourdon, O., V. Petricek, and M. Evain. "A new structure type in the hexagonal perovskite family; structure determination of the modulated misfit compound Sr9/8TiS3." Acta Crystallographica Section B Structural Science 56, no. 3 (June 1, 2000): 409–18. http://dx.doi.org/10.1107/s0108768100002160.

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Sr9/8TiS3, strontium titanium sulfide, a new phase in the hexagonal perovskite-like Sr x TiS3 system, has been prepared and its structure solved from single-crystal X-ray data within the (3 + 1)-dimensional [(3 + 1)D] formalism. Sr9/8TiS3 crystallizes with trigonal symmetry [R3¯m(00γ)0s superspace group], with the following lattice parameters: a s = 11.482 (3), c s = 2.9843 (8) Å, q = 0.56247 (7)c* and V s = 340.7 (3) Å3. The structure was considered as commensurate [R3¯c three-dimensional (3D) space group], but refined within the (3 + 1)D formalism to a residual factor R = 2.79% for 64 parameters and 1084 independent reflections. Original crenel functions were used for the sulfur and strontium description. The structure is different from that of the hexagonal perovskite-like oxide counterparts. The main difference is related to the presence of a new type of polyhedron in the [MS3] transition metal chains, intermediate between the octahedra classically found in such chains and the trigonal prismatic sites encountered in the oxides.
10

Stamatatos, Theocharis C., Eugenia Katsoulakoua, Vassilios Nastopoulos, Catherine P. Raptopoulou, Evy Manessi-Zoupa, and Spyros P. Perlepes. "Cadmium Carboxylate Chemistry: Preparation, Crystal Structure, and Thermal and Spectroscopic Characterization of the One-dimensional Polymer [Cd(O2CMe)(O2CPh)(H2O)2]n." Zeitschrift für Naturforschung B 58, no. 11 (November 1, 2003): 1045–54. http://dx.doi.org/10.1515/znb-2003-1103.

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Compound [Cd(O2CMe)(O2CPh)(H2O)2]n (1) was initially obtained in a serendipitous way during efforts to prepare a CdII /PhCO2 −/bepy complex (bepy = 2-benzoylpyridine). With the identity of 1 established by single-crystal X-ray crystallography, a rational preparative route to this complex was designed and carried out by reacting Cd(O2CMe)2·2H2O with a slight excess of PhCOOH in MeCN under reflux. The crystal structure of 1 consists of isolated zig-zag chains. The CdII atom is coordinated to five carboxylate and two aqua oxygen atoms creating a distorted, capped trigonal prismatic coordination polyhedron. The acetate group exhibits the η1:η2:μ2 coordination mode, while the benzoate ligand is chelating. There is an extensive hydrogen-bonding network which reinforces the chains and also links them generating sheets. The new complex was characterized by IR, far-IR, Raman, CP MAS and solution 113Cd NMR spectroscopy. The spectroscopic data are discussed in terms of the nature of bonding and the known structure. An anhydrous compound with the empirical formula Cd(O2CMe)(O2CPh) was isolated during the thermal decomposition of 1; the vibrational study of this thermally stable intermediate supports an 1D polymeric structure with 6-coordinate CdII ions.
11

Schumer, Benjamin N., Hexiong Yang, and Robert T. Downs. "Natropalermoite, Na2SrAl4(PO4)4(OH)4, a new mineral isostructural with palermoite, from the Palermo No. 1 mine, Groton, New Hampshire, USA." Mineralogical Magazine 81, no. 4 (August 2017): 833–40. http://dx.doi.org/10.1180/minmag.2016.080.133.

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AbstractNatropalermoite, ideally Na2SrAl4(PO4)4(OH)4, the Na-analogue of palermoite, is a new mineral from the Palermo No. 1 mine, Groton, New Hampshire, USA. Associated minerals are palermoite, eosphorite and quartz. Natropalermoite crystal sare prismatic with striations parallel to the direction of elongation (the a axis) up to 200 μm × 50 μm × 45 μm in size. The mineral is colourless, transparent with a white streak and vitreous lustre and is visually indistinguishable from palermoite. It is brittle with subconchoidal fracture and has a Mohs hardness of 5.5. Cleavage is perfect on {001}, fair on {100} and no parting was observed. The calculated density is 3.502 g cm–3. Natropalermoite is biaxial (–), α = 1.624(1), β = 1.641(1), γ = 1.643(1) (589nm), 2Vmeas = 43(4)°, 2Vcalc = 38°. An electron microprobe analysis yielded an empirical formula (based on 20 O apfu) of (Na1.69Li0.31)∑2.00(Sr0.95Mg0.04Ca0.02Ba0.01)∑1.02(Al3.82Mn0.03Fe0.03)∑3.88(P1.01O4)4(OH)4.Natropalermoite is orthorhombic, space group Imcb, a = 11.4849(6), b = 16.2490(7), c = 7.2927(4) Å, V = 1360.95(17) Å3, Z = 4. Natropalermoite is isotypic with palermoite, but substitution of the larger Na for Li results in substantial increase of the b cell parameter. Four of the seven Na–O distances are longer than their equivalents in palermoite, resulting in a more regular 7-fold coordination polyhedron about Na. The eight strongest peaks in the calculated X-ray powder diffraction are [dcalc(Å),Irel%, (hkl)]: [3.128, 100, (321)], [4.907, 68, (121)], [3.327, 48, (022)], [4.689, 45, (220)], [3.078, 45, (202)], [2.453, 38, (242)], [2.636, 35, (411)], [2.174, 35, (422)].
12

Gregório, Thaiane, Siddhartha O. K. Giese, Giovana G. Nunes, Jaísa F. Soares, and David L. Hughes. "Crystal structures of two mononuclear complexes of terbium(III) nitrate with the tripodal alcohol 1,1,1-tris(hydroxymethyl)propane." Acta Crystallographica Section E Crystallographic Communications 73, no. 2 (January 27, 2017): 278–85. http://dx.doi.org/10.1107/s2056989017001116.

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Two new mononuclear cationic complexes in which the TbIIIion is bis-chelated by the tripodal alcohol 1,1,1-tris(hydroxymethyl)propane (H3LEt, C6H14O3) were prepared from Tb(NO3)3·5H2O and had their crystal and molecular structures solved by single-crystal X-ray diffraction analysis after data collection at 100 K. Both products were isolated in reasonable yields from the same reaction mixture by using different crystallization conditions. The higher-symmetry complex dinitratobis[1,1,1-tris(hydroxymethyl)propane]terbium(III) nitrate dimethoxyethane hemisolvate, [Tb(NO3)2(H3LEt)2]NO3·0.5C4H10O2,1, in which the lanthanide ion is 10-coordinate and adopts ans-bicapped square-antiprismatic coordination geometry, contains two bidentate nitrate ions bound to the metal atom; another nitrate ion functions as a counter-ion and a half-molecule of dimethoxyethane (completed by a crystallographic twofold rotation axis) is also present. In product aquanitratobis[1,1,1-tris(hydroxymethyl)propane]terbium(III) dinitrate, [Tb(NO3)(H3LEt)2(H2O)](NO3)2,2, one bidentate nitrate ion and one water molecule are bound to the nine-coordinate terbium(III) centre, while two free nitrate ions contribute to charge balance outside the tricapped trigonal-prismatic coordination polyhedron. No free water molecule was found in either of the crystal structures and, only in the case of1, dimethoxyethane acts as a crystallizing solvent. In both molecular structures, the two tripodal ligands are bent to one side of the coordination sphere, leaving room for the anionic and water ligands. In complex2, the methyl group of one of the H3LEtligands is disordered over two alternative orientations. Strong hydrogen bonds, both intra- and intermolecular, are found in the crystal structures due to the number of different donor and acceptor groups present.
13

Plášil, J., K. Fejfarová, M. Novák, M. Dušek, R. Škoda, J. Hloušek, J. Čejka, et al. "Bêhounekite, U(SO4)2(H2O)4, from Jáchymov (St Joachimsthal), Czech Republic: the first natural U4+ sulphate." Mineralogical Magazine 75, no. 6 (December 2011): 2739–53. http://dx.doi.org/10.1180/minmag.2011.075.6.2739.

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AbstractBêhounekite, orthorhombic U(SO4)2(H2O)4, is the first natural sulphate of U4+. It was found in the Geschieber vein, Jáchymov (St Joachimsthal) ore district, Western Bohemia, Czech Republic, crystallized on the altered surface of arsenic and associated with kaatialaite, arsenolite, claudetite, unnamed phase UM1997-20-AsO:HU and gypsum. Bêhounekite most commonly forms short-prismatic to tabular green crystals, rarely up to 0.5 mm long. The crystals have a strong vitreous lustre and a grey to greenish grey streak. They are brittle with an uneven fracture and have very good cleavage along ﹛100﹜. The Mohs hardness is about 2. The mineral is not fluorescent either in short- or long-wavelength UV radiation. Bêhounekite is moderately pleochroic, α∼β is pale emerald green and γ is emerald green, and is optically biaxial (+) with α = 1.590(2), β = 1.618(4), γ = 1.659(2) (590 nm), 2V (calc.) = 81°, birefringence 0.069. The empirical formula of bêhounekite (based on 12 O atoms, from an average of five point analyses) is (U0.99Y0.03)Σ1.02(SO4)1.97(H2O)4. The simplified formula is U(SO4)2(H2O)4, which requires UO2 53.77. SO3 31.88, H2O 14.35, total 100.00 wt.%. Bêhounekite is orthorhombic, space group Pnma, a = 14.6464(3), b = 11.0786(3), c = 5.6910(14) Å, V = 923.43(4) Å3, Z = 4, Dcalc = 3.62 g cm–3. The seven strongest diffraction peaks in the X-ray powder diffraction pattern are [dobs in Å (I) (hid)]: 7.330 (100) (200), 6.112 (54) (210), 5.538 (21) (020), 4.787 (42) (111), 3.663 (17) (400), 3.478 (20) (410), 3.080 (41) (321). The crystal structure of bêhounekite has been solved by the charge-flipping method from single-crystal X-ray diffraction data and refined to R1 = 2.10 % with a GOF = 1.51, based on 912 unique observed diffractions. The crystal structure consists of layers built up from [8]-coordinate uranium atoms and sulphate tetrahedra. The eight ligands include four oxygen atoms from the sulphate groups and four oxygen atoms from the H2O molecules. Each uranium coordination polyhedron is connected via sulphate tetrahedra with other uranium polyhedra and through hydrogen bonds to the apices of sulphate tetrahedra. The dominant features of the Raman and infrared spectra of bêhounekite are related to stretching vibrations of SO4 tetrahedra (∼1200–950 cm–1), O-H stretching modes (∼3400–3000 cm–1) and H—O—H bending modes (∼1650 cm–1). The mineral is named in honour of František Bêhounek, a well known Czech nuclear physicist.
14

Ren, Zhengyong, Huang Chen, Chaojian Chen, Yiyuan Zhong, and Jingtian Tang. "New analytical expression of the magnetic gradient tensor for homogeneous polyhedrons." GEOPHYSICS 84, no. 3 (May 1, 2019): A31—A35. http://dx.doi.org/10.1190/geo2018-0741.1.

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We have developed a new analytical expression for the magnetic-gradient tensor for polyhedrons with homogeneous magnetization vectors. Instead of performing the direct derivative on the closed-form solutions of the magnetic field, it is obtained by first transforming the volume integrals of the magnetic-field tensor into surface integrals over polyhedral facets, in terms of the gradient theorem. Second, the surface divergence theorem transforms the surface integrals over polyhedral facets into edge integrals and structure-simplified surface integrals. Third, we develop analytical expressions for these edge integrals and simplified surface integrals. We use a synthetic prismatic target to verify the accuracies of the new analytical expression. Excellent agreements are obtained between our results and those calculated by other published formulas. The new analytical expression of the magnetic-gradient tensor can play a fundamental role in advancing magnetic mineral explorations, environmental surveys, unexploded ordnance and submarine detection, aeromagnetic and marine magnetic surveys because more and more magnetic tensor data have been collected by magnetic-tensor gradiometry instruments.
15

Kampf, A. R., F. Colombo, and J. González del Tánago. "Carlhintzeite, Ca2AlF7·H2O, from the Gigante granitic pegmatite, Córdoba province, Argentina: description and crystal structure." Mineralogical Magazine 74, no. 4 (August 2010): 623–32. http://dx.doi.org/10.1180/minmag.2010.074.4.623.

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AbstractCarlhintzeite, Ca2AlF7·H2O, has been found at the Gigante pegmatite, Punilla Department, Córdoba Province, Argentina. It occurs as colourless prismatic crystals up to 0.8 mm long, ubiquitously twinned on {001}. Electron microprobe analyses provided the empirical formula Ca1.98Al1.02F6.24(OH)0.76·H1.62O. A crystal fragment used for the collection of structure data provided the triclinic, C1̄ cell: a = 9.4227(4), b = 6.9670(5), c = 9.2671(7) Å, α = 90.974(6), β = 104.802(5), γ = 90.026(6)°, V = 558.08(7) Å3 and Z = 4. The crystal structure, solved by direct methods and refined to R1 = 0.0322 for 723 Fo > 4σF reflections, is made up of linkages of AlF6 octahedra, CaF8 polyhedra and CaF6(H2O)2 polyhedra. The AlF6 octahedra are isolated from one another, but share polyhedral elements with Ca polyhedra. Most notably, the Al1 octahedron shares trans faces with two CaF8 polyhedra and the Al2 octahedron shares trans edges with two CaF6(H2O)2 polyhedra. The linkage of the Ca polyhedra alone can be described as a framework in which edge-sharing chains along b are cross-linked by edge-sharing. Edge-sharing chains of Ca polyhedra along b in the carlhintzeite structure are similar to those along c in the structures of gearksutite, CaAlF4(OH)·(H2O), and prosopite, CaAl2F4(OH)4.
16

Zhao, Shanrong, Jin Tan, Jiyang Wang, Xiaobo Hu, and Hong Liu. "Triangular dendrites of LiAlSiO4–SiO2: evolution between threefold- and sixfold-symmetric morphologies." Journal of Applied Crystallography 35, no. 4 (July 18, 2002): 455–58. http://dx.doi.org/10.1107/s0021889802008038.

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A special kind of triangular dendrite of LiAlSiO4–SiO2(or Li1−xAl1−xSi1+xO4, 0 ≤x≤ 1) in matt glaze has been observed by DIC (differential interference contrast) microscopy. This triangular dendrite is β-quartz with a sixfold-symmetric structure. For polyhedral crystals, a crystal with threefold-symmetric structure prefers to develop a hexagonal prismatic habit rather than a trigonal prismatic habit, because a trigonal prism has a higher surface energy than a hexagonal prism. However, for dendritic crystals, a special kind of triangular dendrite, with a pattern formed by the aggregation of many small triangles, can develop. As supercooling decreases, β-quartz can develop a series of morphologies with different surface energies, from snowflake-shaped dendrite to triangular dendrite, and finally to a polyhedral crystal in the form of a hexagonal prism. This series of crystal morphologies shows a morphological evolution from dendrite to polyhedral crystal, and also shows a morphological evolution between sixfold and threefold symmetries.
17

Ren, Zhengyong, Chaojian Chen, Jingtian Tang, Huang Chen, Shuanggui Hu, Cong Zhou, and Xiao Xiao. "Closed-form formula of magnetic gradient tensor for a homogeneous polyhedral magnetic target: A tetrahedral grid example." GEOPHYSICS 82, no. 6 (November 1, 2017): WB21—WB28. http://dx.doi.org/10.1190/geo2016-0470.1.

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A closed-form formula is developed for the full magnetic gradient tensor of a polyhedral body with a homogeneous magnetization vector. It is based on the direct derivative technique on the closed form of the magnetic field. These analytical expressions are implemented into an easy-to-use C++ package which simultaneously calculates the magnetic potential, the magnetic field, and the full magnetic gradient tensor for magnetic targets. Modern unstructured tetrahedral grids are adopted to represent the polyhedral body so that our code can deal with arbitrarily complicated magnetic targets. A prismatic body is tested to verify the accuracies of our closed-form formula. Excellent agreements are obtained between our closed-form solutions and solutions of a prismatic magnetic body with differences up to machine precision. A pipeline model is used to demonstrate its capability to deal with complicated magnetic targets. This C++ code is freely available to the magnetic exploration community.
18

Fukunaga, Toshiharu, Keiji Itoh, Kazuhiro Mori, and Masaaki Sugiyama. "Reverse Monte Carlo Modeling of Atomic Configuration for Amorphous Materials." Solid State Phenomena 127 (September 2007): 51–56. http://dx.doi.org/10.4028/www.scientific.net/ssp.127.51.

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Reverse Monte Carlo (RMC) modeling, based on diffraction data, was applied to various kinds of amorphous materials to visualizing the three-dimensional atomic arrangement and to elucidate topological characteristics. For an as-grown amorphous carbon nanocoil, it could be clarified that graphene sheets are winding and the regular ABAB… stacking is lost and the configuration gradually changes to the hexagonal network with great regularity through heat treatment. Voronoi analysis of the RMC model could characterize the atomic configurations for NiZr2 and CuZr2 metallic glasses. The Zr environments are very similar in the two systems, but there are marked differences between the polyhedra around Ni and Cu atoms. The polyhedra around Ni atoms are dominated by prismatic-like polyhedra. In contrast, icosahedron-like polyhedra are preferred for Cu.
19

Olexandr, Vovk, Naumko Ihor, Zankovych Halyna, and Kuzmenko Yaroslav. "Comparison of morphology of quartz crystals – “Marmarosh diamonds” – from Paleogene Flysch sequences of Krosno (Silesian) Zone, Dukla Zone in Ukrainian Carpathians, and Intra-Carpathian sequences of Western Carpathians." Mineralia Slovaca 54, no. 2 (January 23, 2022): 163–74. http://dx.doi.org/10.56623/ms.2022.54.2.3.

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Quartz crystals of “Marmarosh diamonds” type were goniometrically studied in Ukrainian Carpathians from the veins in flysch deposits of Krosno (Silesian) unit (137 crystals, locality 1 – New Beskydy Tunnel) and the Oligocene sediments of the Dukla Zone (77 crystals; loc. 2 – Pryslip pass). They were compared with quartz crystals from intra-Carpathian Paleogene sequences of the Western Carpathians in Slovakia (175 crystals; loc. 3 – Šoltysa stream). The analysis of the obtained results allows to state that the “Marmarosh diamonds” from the studied Ukrainian and Slovak localities are generally similar. The main simple forms represent the hexagonal prism m {101̅0} and the rhombohedra r {101̅1} and z {011̅1}. The following types of crystal habit have been identified: hexagonal-dipyramidal, pseudocubic, hexagonal-prismatic, trigonal-prismatic. For the polyhedra from the Ukrainian Carpathians, minor forms are less typical, such as the trigonal dipyramid s {112̅1} and the trapezoid x {516̅1}. Statistically, the shape of “Marmarosh diamond” crystals from the Ukrainian Carpathians is closer to isometric. For them, elongation along the main crystallographic axis is even less typical than for polyhedra from the Slovak localities. In addition, “Marmarosh diamonds” from the W. Carpathians in Slovakia are more often flattened at {101̅0}. In the process of crystal growth with decreasing temperature, the habit changes from hexagonal-dipyramidal to trigonal-prismatic. Quartz from Krosno (Silesian) zone of Ukrainian Carpathians was found in the association with calcite. There are numerous hydrocarbon inclusions in both minerals. The mineralogical crystallographic and geochemical investigations (especially of the migrating hydrocarbon fluids), are important for oil and gas geology of the Carpathian oil and gas-bearing province.
20

Ohkubo, Isao, and Takao Mori. "dz2 orbital character of polyhedra in complex solid-state transition-metal compounds." Dalton Transactions 49, no. 2 (2020): 431–37. http://dx.doi.org/10.1039/c9dt04091a.

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dz2 orbitals of the transition metals make major contributions to electronic structures near the Fermi levels in d0-, d1-complex transition-metal compounds containing face-sharing, edge-sharing octahedra, or edge-sharing trigonal prismatic layers.
21

Red, W. E., H. V. Troung-Cao, and K. H. Kim. "Robot Path Planning in Three-Dimensions Using the Direct Subspace." Journal of Dynamic Systems, Measurement, and Control 109, no. 3 (September 1, 1987): 238–44. http://dx.doi.org/10.1115/1.3143851.

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An efficient subspace approach is used to find collision-free paths in congested workspaces for a general class of robots having revolute and/or prismatic joints. A three-dimensional joint space is formed by mapping the workspace obstacles represented by polyhedral elements into the robot’s primary degrees-of-freedom comprising the first three robot links, also modeled by polyhedral elements. In this approach the secondary degrees-of-freedom (>3), including objects grasped by the robot end-effector, are bounded by a box attached to the distal primary link. The joint space obstacles represent forbidden space that limits the allowable robot configurations. Paths are then planned on a two-dimensional direct subspace of the joint space using graphics cursor input. Methods of iteration elimination are used to reduce the computational time required to transform obstacles into the joint space.
22

Плёнкин, А. В., А. Ю. Чернышенко, В. Н. Чугунов, and И. В. Капырин. "Adaptive unstructured mesh generation methods for hydrogeological problems." Numerical Methods and Programming (Vychislitel'nye Metody i Programmirovanie), no. 4 (December 18, 2015): 518–33. http://dx.doi.org/10.26089/nummet.v16r449.

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Рассматриваются два сеточных генератора, внедренных в программный комплекс GeRa, предназначенный для решения задач геофильтрации и геомиграции радионуклидов. Это треугольно-призматический генератор с возможностью вырождения ячеек и генератор многогранных сеток с измельчением на основе восьмеричного дерева и возможностями скалывания ячеек. Генераторы позволяют автоматически строить конформные многогранные адаптивные сетки в трехмерных геологических областях с учетом сложной конфигурации внешних границ, кровель и подошв геологических пластов, выклинивания слоев и геологических неоднородностей. Two mesh generators embedded in the GeRa code for the solution of groundwater flow and radionuclide transport problems are discussed. The first one is a triangular-prismatic generator with the ability of cell degeneration; the second one is the polyhedral octree mesh generator implementing the cut-cell technology. These generators allow the user to automatically create conformal polyhedral adaptive grids in three-dimensional geological domains with consideration of complex boundaries, top and bottom geological layer surfaces, pinch-outs, and geological heterogeneities.
23

Kvasnytsya, V. M., O. A. Vyshnevskyi, and Ye V. Naumenko. "Large Nb-Rutile Polyhedra from Chamber Pegmatites of Volyn Region, Ukraine." Mineralogical Journal 46, no. 1 (2024): 20–31. http://dx.doi.org/10.15407/mineraljournal.46.01.020.

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The crystal morphology, chemical composition and mineral inclusions of large Nb-rutile polyhedra from chamber pegmatites of Volyn region were studied. X-ray data for one niobium rutile crystal were also obtained. The sizes of twinned black crystals of the mineral are from 10 to 35 mm. They are interbedded with clevelandite and rare relict microcline. Simple forms of crystals: tetragonal prisms {110} and {100}, dipyramid {111} and sometimes pinacoid {001}. The habit of the crystals is dipyramidal and dipyramidal-prismatic, the shape of the crystals is isometric and short-prismatic. The faces of the prisms are covered with parallel hatching in the vertical belt [001], the faces of the dipyramids are covered with trigon overgrowths. Crystals are twins according to (101), some of them are irregular growths of twins. The unit cell parameters for the studied niobium rutile crystal are a = 4.6159 Å, c = 2.9715 Å. The chemical composition of the mineral, the content of the main components, in mass. %: TiO2 — average 76.16, Nb2O5 — up to 20.45 (average 12.77), Ta2O5 — up to 4.92 (average 3.49) and FeO — up to 6.61 (average 4.56). Mineral inclusions in Nb-rutile crystals are columbite, ilmenite, cassiterite, Fe-phase, W-phase, and quartz. A comparison of the morphology of Nb-rutile from crystalline rocks of Ukraine was made and the dependence of their shape on their chemical composition was analyzed. The probable temperature of the mineral formation lies within the crystallization parameters of clevelandite — approximately 300-400°С.
24

Clark, John E., and Douglas Donne Bryant. "A Technological Typology of Prismatic Blades and Debitage From Ojo de Agua, Chiapas, Mexico." Ancient Mesoamerica 8, no. 1 (1997): 111–36. http://dx.doi.org/10.1017/s0956536100001619.

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AbstractA technological typology for the description and analysis of Mesoamerican obsidian industries is proposed, and its relative merits vis-à-vis Sheets's (1975a) “behavioral” typology are briefly explored. The typology is used to classify and describe a pristine deposit of obsidian-blade refuse recovered from the Early Classic Maya site of Ojo de Agua, Chiapas, Mexico. Analysis of this deposit revealed that the obsidian artifacts were manufacturing refuse resulting from the production of fine prismatic blades from polyhedral cores imported from highland Guatemala. The obsidian refuse was recovered from a workshop dump rather than from an actual workshop.
25

Zhang, Li-Yuan, Song-Xue Li, Shi-Xin Zhu, Bo-Yang Zhang, and Guang-Kui Xu. "Automatically assembled large-scale tensegrities by truncated regular polyhedral and prismatic elementary cells." Composite Structures 184 (January 2018): 30–40. http://dx.doi.org/10.1016/j.compstruct.2017.09.074.

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26

Engelen, Bernward, Willi Buchmeier, and Heinz Dieter Lutz. "Zur Polymorphie des Cadmiumsulfits, Kristallstrukturen von CdSO3-I, CdSO3-II und CdSO3-III / Polymorphic Cadmium Sulfites, Crystal Structures of CdSO3-I, CdSO3 -II, and CdSO3-III." Zeitschrift für Naturforschung B 42, no. 1 (January 1, 1987): 37–41. http://dx.doi.org/10.1515/znb-1987-0108.

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The crystal structures of the anhydrous cadmium sulfites CdSO3-I (P21/c, Z=4), CdSO3-II (P21/c, Z=8), and CdSO3-III (R3̄̄, Z=18 for the hexagonal cell) have been determined by means of single crystal X-ray diffraction data. The final R for the 1475, 2349, and 2138 observed reflections are 0.040, 0.034, and 0.073. Coordination of Cd is trigonal-prismatic, a hitherto unknown coordination of Cd in salts of oxoacids, in CdSO3-I and CdSO3-II, and octahedral in CdSO3-III. The CdO6-polyhedra are arranged in two-dimensional (CdSO3-I) and three-dimensional (CdSO3-II and CdSO3-III) networks. SO32- groups act as monodentate and in CdSO3-I and CdSO3-II also as bidentate ligands. Cd−O distances range from 224.5(3) to 244.6(3) pm, with an average of 231.5 pm for the trigonal-prismatic and of 231.0 pm for the octahedral coordination. S−O dis-tances range from 152.3(3) to 155.3(3) pm with an average of 153.7 pm, the O−S−O angles from 99.2(2) to 106.7(3)° with an average of 103.2°.
27

Aoyama, Kazuo. "ANCIENT MAYA ECONOMY: LITHIC PRODUCTION AND EXCHANGE AROUND CEIBAL, GUATEMALA." Ancient Mesoamerica 28, no. 1 (2017): 279–303. http://dx.doi.org/10.1017/s0956536116000183.

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AbstractThis article discusses the results of my diachronic analysis of lithic artifacts collected around Ceibal, Guatemala, in order to elucidate one aspect of long-term changing patterns in the pre-Columbian Maya economic systems and warfare. The importation of large polyhedral obsidian cores and local production of prismatic blades began as the result of sociopolitical development in Ceibal during the early Middle Preclassic Real-Xe phase. El Chayal obsidian was heavily used during the early Middle Preclassic period, while San Martín Jilotepeque was the principal source in the late Middle Preclassic, Late Preclassic, and Terminal Preclassic periods, and El Chayal once more became the major source in Ceibal during the Classic period. There is increasing evidence of the production and use of chert and obsidian points in the central part of Ceibal during the Late and Terminal Classic periods, indicating elites' direct involvement in warfare. Although the spear or dart points were predominant weapons in Classic Maya warfare, the increase in both chert small unifacial points and obsidian prismatic blade points in Ceibal points to bow-and-arrow technology by the Terminal Classic period.
28

Garekani, H. "Formation and compression characteristics of prismatic polyhedral and thin plate-like crystals of paracetamol." International Journal of Pharmaceutics 187, no. 1 (September 30, 1999): 77–89. http://dx.doi.org/10.1016/s0378-5173(99)00157-x.

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29

Taube, Karl A. "Obsidian Polyhedral Cores and Prismatic Blades in the Writing and Art of Ancient Mexico." Ancient Mesoamerica 2, no. 01 (March 1991): 61–70. http://dx.doi.org/10.1017/s0956536100000377.

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30

Ren, Zhengyong, Yiyuan Zhong, Chaojian Chen, Jingtian Tang, and Kejia Pan. "Gravity anomalies of arbitrary 3D polyhedral bodies with horizontal and vertical mass contrasts up to cubic order." GEOPHYSICS 83, no. 1 (January 1, 2018): G1—G13. http://dx.doi.org/10.1190/geo2017-0219.1.

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A new singularity-free analytical formula has been developed for the gravity field of arbitrary 3D polyhedral mass bodies with horizontally and vertically varying density contrast using third-order polynomial functions. First, the observation sites are moved to the origin of the coordinate system. Then, the volume and surface integral theorems are invoked successively to transform the volume integrals into surface integrals over polygonal faces and into line integrals over the edges of the polyhedral mass bodies. Furthermore, singularity-free closed-form solutions are derived for these line integrals over the edges. Thus, the observation sites can be located inside, on, or outside the 3D distributions. A synthetic prismatic mass body is adopted to verify the accuracy and singularity-free property of our newly developed analytical expressions. Excellent agreements are obtained between our solutions and other published closed-form solutions with relative errors in the order of [Formula: see text] to [Formula: see text]. In addition, an octahedral model and a near-Earth asteroid model are used to verify the accuracy of the presented method for complicated target structures by comparing the results with those from a high-order Gaussian quadrature approach.
31

Carmello-Guerreiro, Sandra Maria, and Adelita A. Sartori Paoli. "Ontogeny and Structure of the Pericarp of Schinus terebinthifolius Raddi (Anacardiaceae)." Brazilian Archives of Biology and Technology 45, no. 1 (March 2002): 73–79. http://dx.doi.org/10.1590/s1516-89132002000100012.

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The fruit of Schinus terebinthifolius Raddi is a globose red drupe with friable exocarp when ripe and composed of two lignified layers: the epidermis and hypodermis. The mesocarp is parenchymatous with large secretory ducts associated with vascular bundles. In the mesocarp two regions are observed: an outer region composed of only parenchymatous cells and an inner region, bounded by one or more layers of druse-like crystals of calcium oxalate, composed of parenchymatous cells, secretory ducts and vascular bundles. The mesocarp detaches itself from the exocarp due to degeneration of the cellular layers in contact with the hypodermis. The lignified endocarp is composed of four layers: the outermost layer of polyhedral cells with prismatic crystals of calcium oxalate, and the three innermost layers of sclereids in palisade.
32

Werner, C., E. Kemnitza, H. Worzalab, and S. Trojanov. "Synthese und Kristallstruktur von Ba(HSO4)2(H2SO4)3 und Sr(HSO4)2(H2SO4) / Synthesis and Structure of Ba (HSO4)2(H2SO4)3 and Sr(HSO4)2(H2SO4)." Zeitschrift für Naturforschung B 51, no. 7 (July 1, 1996): 952–58. http://dx.doi.org/10.1515/znb-1996-0708.

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From the binary systems M2SO4/H2SO4 (M = Ba. Sr), two new hydrogen sulfates, (Ba(HSO4)2(H2SO4)3 and Sr(HSO4)2(H2SO4), have been synthesized and structurally characterized.Ba(HSO4)2(H2SO4)3 crystallizes in the orthorhombic space group P21212, with unit cell parameters a = 4.680(1), b = 11.267(2), c = 29.188(6)A, Z = 4. BaO9 trigonal prismatic polyhedra with Ba-O distances of 2.68 - 3.02 Å from nine different SO4 tetrahedra are connected via common bases and build “isolated” columns consisting of O-S-O bridged double chains along the x-axis. HSO4 and H2SO4 tetrahedra are linked via hydrogen bonds to form columns. Sr(HSO4)2(HTSO4) crystallizes in the triclinic space group P1̄ with unit cell parameters a = 5.971(1), b = 8.468(2), c = 10.226(2)Å, α = 81.71(3), β = 83.30(3), γ = 70.69(3)°, Z = 2. Sr is coordinated by nine oxygen atoms from seven different SO4 tetrahedra with Sr-O distances of 2.47 - 2.84 Å. The SrO9 polyhedra build layers consisting of O-S-O bridged chains. Three crystallographically different SO4 tetrahedra are linked via hydrogen bonds to form a kind of flattened cylinder along the x-axis.
33

King, R. Bruce. "Systematics of Atomic Orbital Hybridization of Coordination Polyhedra: Role of f Orbitals." Molecules 25, no. 14 (July 8, 2020): 3113. http://dx.doi.org/10.3390/molecules25143113.

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The combination of atomic orbitals to form hybrid orbitals of special symmetries can be related to the individual orbital polynomials. Using this approach, 8-orbital cubic hybridization can be shown to be sp3d3f requiring an f orbital, and 12-orbital hexagonal prismatic hybridization can be shown to be sp3d5f2g requiring a g orbital. The twists to convert a cube to a square antiprism and a hexagonal prism to a hexagonal antiprism eliminate the need for the highest nodality orbitals in the resulting hybrids. A trigonal twist of an Oh octahedron into a D3h trigonal prism can involve a gradual change of the pair of d orbitals in the corresponding sp3d2 hybrids. A similar trigonal twist of an Oh cuboctahedron into a D3h anticuboctahedron can likewise involve a gradual change in the three f orbitals in the corresponding sp3d5f3 hybrids.
34

Furukawa, Yoshinori, Ken Nagashima, Shunichi Nakatsubo, Salvador Zepeda, Ken-ichiro Murata, and Gen Sazaki. "Crystal-plane-dependent effects of antifreeze glycoprotein impurity for ice growth dynamics." Philosophical Transactions of the Royal Society A: Mathematical, Physical and Engineering Sciences 377, no. 2146 (April 15, 2019): 20180393. http://dx.doi.org/10.1098/rsta.2018.0393.

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An impurity effect on ice crystal growth in supercooled water is an important subject in relation to ice crystal formation in various conditions in the Earth's cryosphere regions. In this review, we consider antifreeze glycoprotein molecules as an impurity. These molecules are well known as functional molecules for controlling ice crystal growth by their adsorption on growing ice/water interfaces. Experiments on free growth of ice crystals in supercooled water containing an antifreeze protein were conducted on the ground and in the International Space Station, and the normal growth rates for the main crystallographic faces of ice, namely, basal and prismatic faces, were precisely measured as functions of growth conditions and time. The crystal-plane-dependent functions of AFGP molecules for ice crystal growth were clearly shown. Based on the magnitude relationship for normal growth rates among basal, prismatic and pyramidal faces, we explain the formation of a dodecahedral external shape of an ice crystal in relation to the key principle governing the growth of polyhedral crystals. Finally, we emphasize that the crystal-plane dependence of the function of antifreeze proteins on ice crystal growth relates to the freezing prevention of living organisms in sub-zero temperature conditions. This article is part of the theme issue ‘The physics and chemistry of ice: scaffolding across scales, from the viability of life to the formation of planets’.
35

Vasanthy, George, Dario De Franceschi, and Stanley A. J. Pocock. "Geometric Aspects of Pollen: Polyhedrons (Vernonieae – Asteraceae), Rotated Symmetry (Trichanthereae – Acanthaceae) and Pyramidal to Prismatic Spinules (Nothapodytes – Icacinaceae)." Grana 32, sup002 (January 1993): 37–43. http://dx.doi.org/10.1080/00173139309428977.

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36

Zhang, Jian-Jun, Sheng-Min Hu, Li-Min Zheng, Xin-Tao Wu, Zhi-Yong Fu, Jing-Cao Dai, Wen-Xin Du, Han-Hui Zhang, and Rui-Qing Sun. "Synthesis and Characterization of a Series of Novel Heptanuclear Trigonal-Prismatic Polyhedra with Different Edge-Ligands." Chemistry - A European Journal 8, no. 24 (December 16, 2002): 5742–49. http://dx.doi.org/10.1002/1521-3765(20021216)8:24<5742::aid-chem5742>3.0.co;2-f.

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37

Carmello-Guerreiro, Sandra Maria, and Adelita Aparecida Sartori Paoli. "Anatomy of the pericarp and seed-coat of Lithraea molleoides (Vell.) Engl. (Anacardiaceae) with taxonomic notes." Brazilian Archives of Biology and Technology 48, no. 4 (July 2005): 599–610. http://dx.doi.org/10.1590/s1516-89132005000500013.

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The aim of the present work was to record anatomical data for the fruit and seed of Lithraea molleoides (Vell.) Engl, and compare the results with those for L. brasiliensis and the genera Schinus and Rhus. The L. molleoides fruit was a drupe with a friable and lignified exocarp. The mesocarp was parenchymatous with large secretory canals associated with vascular bundles. The endocarp consisted of four layers: an outer layer of polyhedral cells with prismatic crystals of calcium oxalate, and three inner layers of sclereids in a palisade arrangement. The ovule was anatropous, unitegmic, and crassinucelate. In the chalazal region, a cup-like zone of tanniniferous parenchymal cells formed the hypostase. The developing seed had a circinotropous-like shape, that originated through curvature of the long, coarse funicle that surrounded the tegument and embryo sac. The ripe seed was endotestal with bar-like thickenings or pittings in the cell walls.
38

Chávez, Raul García, Michael D. Glascock, J. Michael Elam, and Harry B. lceland. "The INAH Salvage Archaeology Excavations at Azcapotzalco, Mexico: An Analysis of the Lithic Assemblage." Ancient Mesoamerica 1, no. 2 (1990): 225–32. http://dx.doi.org/10.1017/s0956536100000249.

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AbstractAnalysis of a collection of lithic artifacts from recent INAH salvage excavations in Azcapotzalco, Mexico, contributes to our understanding of lithic procurement and manufacturing processes, other economic activities, intersite relations, and the decline of Classic civilization in the Basin of Mexico. The results of NAA conducted at the Missouri University Research Reactor on a small sample of obsidian artifacts from the site support the conclusions of visual analysis and growing evidence from other central Mexican sites that at the end of the Classic Period obsidian exchange networks utilizing the Pachuca, Hidalgo, sources were largely replaced by a widespread dependence on the considerably more distant obsidian source of Ucareo, Michoacan. It appears likely that Ucareo obsidian was imported primarily in the form of large polyhedral cores used to produce prismatic blades. Obsidian from the Otumba, State of Mexico, source was also identified by NAA in biface and blade form.
39

Cigler, Andrew J., and James A. Kaduk. "Sodium rubidium hydrogen citrate, NaRbHC6H5O7, and sodium caesium hydrogen citrate, NaCsHC6H5O7: crystal structures and DFT comparisons." Acta Crystallographica Section E Crystallographic Communications 75, no. 2 (January 18, 2019): 223–27. http://dx.doi.org/10.1107/s205698901900063x.

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The crystal structure of sodium rubidium hydrogen citrate, NaRbHC6H5O7 or [NaRb(C6H6O7)] n , has been solved and refined using laboratory powder X-ray diffraction data, and optimized using density functional techniques. This compound is isostructural to NaKHC6H5O7. The Na atom is six-coordinate, with a bond-valence sum of 1.16. The Rb atom is eight-coordinate, with a bond-valence sum of 1.17. The distorted [NaO6] octahedra share edges to form chains along the a-axis direction. The irregular [RbO8] coordination polyhedra share edges with the [NaO6] octahedra on either side of the chain, and share corners with other Rb atoms, resulting in triple chains along the a-axis direction. The most prominent feature of the structure is the chain along [111] of very short, very strong hydrogen bonds; the O...O distances are 2.426 and 2.398 Å. The Mulliken overlap populations in these hydrogen bonds are 0.140 and 0.143 electrons, which correspond to hydrogen-bond energies of about 20.3 kcal mol−1. The crystal structure of sodium caesium hydrogen citrate, NaCsHC6H5O7 or [NaCs(C6H6O7)] n , has also been solved and refined using laboratory powder X-ray diffraction data, and optimized using density functional techniques. The Na atom is six-coordinate, with a bond-valence sum of 1.15. The Cs atom is eight-coordinate, with a bond-valence sum of 0.97. The distorted trigonal–prismatic [NaO6] coordination polyhedra share edges to form zigzag chains along the b-axis direction. The irregular [CsO8] coordination polyhedra share edges with the [NaO6] polyhedra to form layers parallel to the (101) plane, unlike the isolated chains in NaKHC6H5O7 and NaRbHC6H5O7. A prominent feature of the structure is the chain along [100] of very short, very strong O—H...O hydrogen bonds; the refined O...O distances are 2.398 and 2.159 Å, and the optimized distances are 2.398 and 2.347 Å. The Mulliken overlap populations in these hydrogen bonds are 0.143 and 0.133 electrons, which correspond to hydrogen-bond energies about 20.3 kcal mol−1.
40

Meier, Steffen F., and Thomas Schleid. "Oxotellurate(IV) der Lanthanide: II. Die isotype Reihe M2Te5O13 (M = Dy – Lu) / Oxotellurates(IV) of Lanthanides: II. The Isotypic Series M2Te5O13 (M = Dy – Lu)." Zeitschrift für Naturforschung B 60, no. 7 (July 1, 2005): 720–26. http://dx.doi.org/10.1515/znb-2005-0704.

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For the shortly discovered formula type M2Te5O13 (triclinic, P1̄), the establishment of an isostructural series in the last third of the lanthanide family (M = Dy - Lu) was possible. The excessive formula unit TeO2 additional to the well-known composition M2Te4O11 (monoclinic, C2/c) leads to the slicing of the [M2O10]14− layers which are typical for the tellurium-oxide poorer compounds. By coupling together the bicapped trigonal prismatic (M1, CN = 8) and the pentagonal bipyramidal (M2, CN = 7) lanthanide-oxygen polyhedra via edges, [M4O20]28− bands are formed stretching along the a axis and piling up to a primitive rod-packing. The linkage of these bands occurs parallel to the (010) plane via Te3 as well as via Te4 parallel to (100). Besides the usual 3+1 coordination, two of the five crystallographically independent tellurium sites are coordinated regularly fourfold (d(Te−O) ≈ 186−213 pm) and even 3+2-fold by oxygen atoms. The tellurium-oxygen polyhedra form corrugated layers running parallel to (101) which follow so close to each other that the tellurium-oxygen partial structure appears to be almost three-dimensional at a passing glance. As in M2Te4O11-type representatives, the non-bonding electron pair (lone pair) of each Te4+ cation shows stereochemical activity which always appears to flock together in large tellurium neighboured positions.
41

Hennings, Erik, Horst Schmidt, and Wolfgang Voigt. "Crystal structures of Sr(ClO4)2·3H2O, Sr(ClO4)2·4H2O and Sr(ClO4)2·9H2O." Acta Crystallographica Section E Structure Reports Online 70, no. 12 (November 15, 2014): 510–14. http://dx.doi.org/10.1107/s1600536814024726.

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The title compounds, strontium perchlorate trihydrate {di-μ-aqua-aquadi-μ-perchlorato-strontium, [Sr(ClO4)2(H2O)3]n}, strontium perchlorate tetrahydrate {di-μ-aqua-bis(triaquadiperchloratostrontium), [Sr2(ClO4)4(H2O)8]} and strontium perchlorate nonahydrate {heptaaquadiperchloratostrontium dihydrate, [Sr(ClO4)2(H2O)7]·2H2O}, were crystallized at low temperatures according to the solid–liquid phase diagram. The structures of the tri- and tetrahydrate consist of Sr2+cations coordinated by five water molecules and four O atoms of four perchlorate tetrahedra in a distorted tricapped trigonal–prismatic coordination mode. The asymmetric unit of the trihydrate contains two formula units. Two [SrO9] polyhedra in the trihydrate are connected by sharing water molecules and thus forming chains parallel to [100]. In the tetrahydrate, dimers of two [SrO9] polyhedra connected by two sharing water molecules are formed. The structure of the nonahydrate contains one Sr2+cation coordinated by seven water molecules and by two O atoms of two perchlorate tetrahedra (point group symmetry ..m), forming a tricapped trigonal prism (point group symmetrym2m). The structure contains additional non-coordinating water molecules, which are located on twofold rotation axes. O—H...O hydrogen bonds between the water molecules as donor and ClO4tetrahedra and water molecules as acceptor groups lead to the formation of a three-dimensional network in each of the three structures.
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Prasad, Thazhe Kootteri, and M. V. Rajasekharan. "Novel three-dimensional coordination polymers of lanthanides with sulfate and oxydiacetic acid." Acta Crystallographica Section C Crystal Structure Communications 69, no. 12 (November 30, 2013): 1503–8. http://dx.doi.org/10.1107/s0108270113031806.

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Three three-dimensional coordination polymers,viz.poly[[diaqua-μ4-oxydiacetato-di-μ4-sulfato-dipraseodymium(III)] hemihydrate], [Pr2(C4H4O5)(SO4)2(H2O)2]·0.5H2O, (I), poly[[diaquadi-μ3-oxydiacetato-μ3-sulfato-dineodymium(III)] 1.32-hydrate], [Nd2(C4H4O5)2(SO4)(H2O)2]·1.32H2O, (II), and poly[[diaquadi-μ3-oxydiacetato-μ3-sulfato-disamarium(III)] 1.32-hydrate], [Sm2(C4H4O5)2(SO4)(H2O)2]·1.32H2O, (III), were obtained by hydrothermal reactions of the respective lanthanide oxides and ZnSO4with oxydiacetic acid (odaH2). The Nd3+and Sm3+compounds form isomorphous crystal structures in which the lanthanide cations are nine-coordinate, having a tricapped trigonal prismatic coordination. The Pr3+compound has an entirely different crystal structure in which two types of coordination polyhedra are observed,viz.nine-coordinate (trigonal prism) and ten-coordinate (bicapped square antiprism). The sulfate anions show various coordination modes, one of which has only rarely been observed crystallographically to date.
43

Stock, N. "Synthesis and Characterization of Mn6(PO4)4·H2O, a New Metal(II) Phosphate Hydrate." Zeitschrift für Naturforschung B 57, no. 2 (February 1, 2002): 187–92. http://dx.doi.org/10.1515/znb-2002-0210.

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The new manganese phosphate hydrate,Mn6(PO4)4·H2O, has been obtained as a single phase product using hydrothermal methods and the structure has been determined by single crystal X-ray diffraction. The title compound crystallizes in the monoclinic space group Cc with a = 934.18(10), b = 1743.68(18), c = 815.15(8) pm, β = 92.616(2)°, V = 1326.4(2)·106 pm3, Z = 4, and the refinement led to R1 = 0.0281 and Rw2 = 0.0728 (all data). The structure is composed of [PO4] and [MnOx] polyhedra (x = 6, 7) and might be described as a distorted primitive hexagonal packing of [PO4] tetrahedra which are held together by Mn2+ ions partially located in distorted trigonal prismatic positions. This leads to a dense three-dimensional framework structure. Magnetic susceptibility measurements verified the presence of high-spin Mn2+ ions and thermogravimetric data confirm the chemical composition deduced from the single crystal structure determination.
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Anana, Hayet, Chahrazed Trifa, Sofiane Bouacida, Chaouki Boudaren, and Hocine Merazig. "Hydrothermal synthesis and crystal structure of a new lanthanum(III) coordination polymer with fumaric acid." Acta Crystallographica Section E Crystallographic Communications 71, no. 5 (April 22, 2015): m114—m115. http://dx.doi.org/10.1107/s2056989015007008.

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The title compound, poly[diaquatris(μ4-but-2-enedioato)(μ2-but-2-enedioic acid)dilanthanum(III)], [La2(C4H2O4)3(C4H4O4)(H2O)2]n, was synthesized by the reaction of lanthanum chloride pentahydrate with fumaric acid under hydrothermal conditions. The asymmetric unit comprises an LaIIIcation, one and a half fumarate dianions (L2−), one a half-molecule of fumaric acid (H2L) and one coordinated water molecule. Each LaIIIcation has the same nine-coordinate environment and is surrounded by eight O atoms from seven distinct fumarate moieties, including one protonated fumarate unit and one water molecule in a distorted tricapped trigonal–prismatic environment. The LaO8(H2O) polyhedra centres are edge-shared through three carboxylate bridges of the fumarate ligand, forming chains in three dimensions to construct the MOF. The crystal structure is stabilized by O—H...O hydrogen-bond interactions between the coordinated water molecule and the carboxylate O atoms, and also between oxygen atoms of fumaric acid
45

Krivovichev, S. V., and P. C. Burns. "Crystal chemistry of basic lead carbonates. III. Crystal structures of Pb3O2(CO3) and NaPb2(OH)(CO3)2." Mineralogical Magazine 64, no. 6 (December 2000): 1077–87. http://dx.doi.org/10.1180/002646100549896.

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AbstractThe crystal structures of synthetic Pb3O2(CO3) and NaPb2(OH)(CO3)2, have been solved by direct methods and refined to R = 0.062 and 0.024, respectively. Pb3O2(CO3) is orthorhombic, Pnma, a = 22.194(3), b = 9.108(1), c = 5.7405(8) Å, V = 1160.4(3) Å3, Z = 8. There are four symmetrically distinct Pb2+ cations in irregular coordination polyhedra due to the effect of stereoactive s2 lone electron pairs. The structure is based upon double [O2Pb3] chains of [O(1)Pb4] and [O(2)Pb4] oxocentred tetrahedra and CO3 groups. The [O2Pb3] chains are parallel to the c axis, whereas the CO3 groups are parallel to the (010) plane. NaPb2(OH)(CO3)2 is hexagonal, P63mc, a = 5.276(1), c = 13.474(4)Å, V = 324.8(1) Å3, Z = 2 and has been solved by direct methods. There are two symmetrically distinct Pb2+ cations in asymmetric coordination polyhedra due to the effect of stereoactive s2 lone-electron pairs. The single symmetrically unique Na+ cation is in trigonal prismatic coordination. The structure is based on hexagonal sheets of Pb atoms. Within these sheets, Pb atoms are located at vertices of a 36 net, such that each Pb atom has six adjacent Pb atoms that are ~5.3 Å away. Two sheets are stacked in a close-packing arrangement, forming layers that contain the (CO3) groups. The layers are linked by OH groups that are linearly coordinated by two Pb2+ cations. Na+ cations are located between the layers. The structure is closely related to the structures of other lead hydroxide carbonates (leadhillite, macphersonite, susannite, hydrocerussite, ‘plumbonacrite’).
46

Lin, Yueh-Jaw, Rahul Mahabaleshwarkar, and Elena Massina. "CAD-based CMM dimensional inspection path planning – a generic algorithm." Robotica 19, no. 2 (March 2001): 137–48. http://dx.doi.org/10.1017/s0263574700003076.

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This paper describes a newly developed algorithm for CAD-based dimensional inspection path planning utilizing coordinate measuring machines (CMMs). The algorithm guarantees to provide optimum collision-free inspection probe paths by using the topological structure of the boundary representation (B-rep) solid CAD models of the inspected parts. A concept of automatic generation of optimum and collision free path in three dimensional space using available CAD database is proposed. The algorithm is generic for generating probe path over prismatic polyhedral parts. It serves as a principal part of the inspection path planning system. It is based on the modified ray tracing technique which uses a B-Rep data from any geometric modeling systems. Between start point and target point, an imaginary ray is established and if an intersection with part is encountered, an optimal detour path is created avoiding interference of the probe with the part. The generated path consists of linear segments joining start point and target point by various intermediate points. To locate these intermediate points in the consideration space, topological and geometrical structures of the part models are used at the time of decision making. To examine and implement the algorithm, a user-friendly application is developed employing AutoCAD Runtime Extension (ARX) development environment with object oriented programming (OOP) techniques, running on a Windows NT workstation. The effectiveness of the proposed algorithm is verified by the results of the implementation demonstrating optimum collision-free dimensional inspection path generation for four representative prismatic part models. All in all, this work contributes to the knowledge-base formation of automated dimensional inspection research area and paves a way for the integration of CMMs into a CAD/CAM environment, thus automate the process of design, manufacturing and quality assurance.
47

Knight, Charles L. F. "VARIATION IN RESIDENTIAL PRISMATIC BLADE PRODUCTION AND STATUS DURING THE EARLY CLASSIC AT PALO ERRADO, VERACRUZ." Ancient Mesoamerica 27, no. 1 (2016): 71–90. http://dx.doi.org/10.1017/s0956536116000134.

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AbstractIntrasite variation in the production and consumption of obsidian prismatic blades is investigated at the Protoclassic to early Late Classic period site of Palo Errado in Veracruz, Mexico. There, the recovery of macrodebitage, as well as eraillure flakes, platform overhang flakes, and debitage with 90 degree angles between dorsal scars indicates that local blade production occurred at the site from imported marcocores and large polyhedral cores. In addition, detailed ceramic and obsidian data from excavated contexts demonstrate that the elite were involved in blade production and consumption, while the inhabitants of Mound 9, a non-elite, residential workshop locus, were specializing in prismatic blade production for exchange. At some point in the Early Classic period, the elite of the site undergo a significant change that intensifies their use of status markers, such as serving ware and personal adornment that corresponds to a decrease in elite blade production and an increase in blade consumption. However, no change in how blades are used by the elite is evident in this transition. While the vast majority of the obsidian artifacts recovered were made from Zaragoza-Oyameles obsidian, significant intrasite variation in minor sources, as well as the types of blades recovered and degree of edge wear suggests that the elite and nonelite participated independently in a variety of obsidian provisioning networks. In the case of the Mound 9 residents, the ceramic and obsidian assemblage suggests that their economic independence corresponded to a physical and ideological separation from the rest of the site. In general the production and consumption of obsidian does not suggest its use in a local political economy. Rather, the inhabitants of Palo Errado may have been exchanging and obtaining obsidian commodities within local and regional marketplaces.
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Bugaris, Daniel E., and Hans-Conrad zur Loye. "Li3Al(MoO4)3, a lyonsite molybdate." Acta Crystallographica Section C Crystal Structure Communications 68, no. 6 (May 16, 2012): i34—i36. http://dx.doi.org/10.1107/s0108270112020513.

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Trilithium aluminium trimolybdate(VI), Li3Al(MoO4)3, has been grown as single crystals from α-Al2O3and MoO3in an Li2MoO4flux at 998 K. This compound is an example of the well known lyonsite structure type, the general formula of which can be written asA16B12O48. Because this structure can accomodate cationic mixing as well as cationic vacancies, a wide range of chemical compositions can adopt this structure type. This has led to instances in the literature where membership in the lyonsite family has been overlooked when assigning the structure type to novel compounds. In the title compound, there are two octahedral sites with substitutional disorder between Li+and Al3+, as well as a trigonal prismatic site fully occupied by Li+. The (Li,Al)O6octahedra and LiO6trigonal prisms are linked to form hexagonal tunnels along the [100] axis. These polyhedra are connected by isolated MoO4tetrahedra. Infinite chains of face-sharing (Li,Al)O6octahedra extend through the centers of the tunnels. A mixed Li/Al site, an Li, an Mo, and two O atoms are located on mirror planes.
49

Sharif, Shahzad, Islam Ullah Khan, Onur Sahin, Nadia Jabeen, Saeed Ahmad, and Bushra Khan. "Synthesis, crystal structure and magnetic properties of an octanuclear cerium(III) complex of pyridine-2,6-dicarboxylate." Zeitschrift für Naturforschung B 74, no. 3 (March 26, 2019): 255–60. http://dx.doi.org/10.1515/znb-2018-0178.

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AbstractAn octanuclear compound of cerium(III), [Ce8(Pydc)10(HPydc)4.22H2O].11H2O (1) (Pydc=pyridine-2,6-dicarboxylate anion) was prepared under mild solvothermal conditions and its crystal structure was determined by single-crystal X-ray diffraction. Three kinds of coordination environments are observed, which include: [Ce(Pydc)3], [Ce(Pydc)(H2O)4(O,O)], and [Ce(H2O)7(O,O)]. Each cerium atom in 1 is nine-coordinated but two different geometries are found. The Ce1 and Ce2 atoms exhibit a nearly tricapped trigonal prismatic CeN3O6 geometry, while Ce3 and Ce4 possess CeNO8 and CeO9 coordination polyhedra, which approximate to slightly distorted mono-capped square antiprisms having 12 triangular faces. The Pydc ligands adopt tri-, tetra-, and penta-coordination modes through tridentate chelating and, μ2 and μ3-bridging modes, respectively. The clusters are joined by O–H···O hydrogen bonds to generate 3D supramolecular network. Magnetic susceptibility measurements for 1 indicate that the χm values obey the Curie-Weiss law. The overall magnetic behavior is typical for the presence of antiferromagnetic exchange coupling interactions between the cerium(III) ions.
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Krasnitckii, S. A., A. M. Smirnov, and M. Yu Gutkin. "Axial misfit stress relaxation in core–shell nanowires with polyhedral cores through the nucleation of misfit prismatic dislocation loops." Journal of Materials Science 55, no. 22 (February 12, 2020): 9198–210. http://dx.doi.org/10.1007/s10853-020-04401-3.

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