Log in

Relevant bibliographies by topics / X-ray powder diffraction / Journal articles

Journal articles on the topic 'X-ray powder diffraction'

To see the other types of publications on this topic, follow the link: X-ray powder diffraction.

Author: Grafiati

Published: 4 June 2021

Last updated: 6 September 2023

Create a spot-on reference in APA, MLA, Chicago, Harvard, and other styles

Select a source type:

Consult the top 50 journal articles for your research on the topic 'X-ray powder diffraction.'

Next to every source in the list of references, there is an 'Add to bibliography' button. Press on it, and we will generate automatically the bibliographic reference to the chosen work in the citation style you need: APA, MLA, Harvard, Chicago, Vancouver, etc.

You can also download the full text of the academic publication as pdf and read online its abstract whenever available in the metadata.

Browse journal articles on a wide variety of disciplines and organise your bibliography correctly.

1

Ilinca, Gheorghe, and Emil Makovicky. "X-ray powder diffraction properties of pavonite homologues." European Journal of Mineralogy 11, no. 4 (July 16, 1999): 691–708. http://dx.doi.org/10.1127/ejm/11/4/0691.

Full text

APA, Harvard, Vancouver, ISO, and other styles

2

Cox, D. E. "Synchrotron X-Ray Powder Diffraction." MRS Bulletin 12, no. 1 (February 1987): 16–20. http://dx.doi.org/10.1557/s088376940006869x.

Full text

Abstract:

X-ray powder diffraction is one of the most widely used techniques by scientists engaged in the synthesis, analysis, and characterization of solids. It is estimated that there are now about 25,000 users throughout the world, of which about one third are in the United States. Any single-phase polycrystalline material gives an x-ray pattern which can be regarded as a unique “fingerprint,” and modern automated search-and-match techniques used in conjunction with the Powder Diffraction File (maintained by the International Center for Diffraction Data, Swarthmore, PA) allow routine analysis of samples in minutes. From an x-ray pattern of good quality it is possible to determine unit cell parameters with high accuracy and impurity concentrations of 1-5%, so that powder techniques are extremely valuable in phase equilibrium studies and residual stress measurements, for example. In addition, a detailed analysis of line shapes gives information about physical properties such as the size and shape of the individual crystallites, microscopic strain, and stacking disorder.In the early days of crystallography many simple (and some not-so-simple) structures were solved from x-ray powder diffraction patterns, but the obvious limitations to the number of individual reflection intensities which can be estimated and the increasing sophistication of single-crystal techniques resulted in a decline in the importance of this application in the 1950s and 1960s.

APA, Harvard, Vancouver, ISO, and other styles

3

Yamane, H., T. Sakamoto, S. I. Kubota, and M. Shimada. "Gd3GaO6by X-ray powder diffraction." Acta Crystallographica Section C Crystal Structure Communications 55, no. 4 (April 15, 1999): 479–81. http://dx.doi.org/10.1107/s0108270198016096.

Full text

APA, Harvard, Vancouver, ISO, and other styles

4

Palancher, H., S. Bos, J. F. Bérar, I. Margiolaki, and J. L. Hodeau. "X-ray resonant powder diffraction." European Physical Journal Special Topics 208, no. 1 (June 2012): 275–89. http://dx.doi.org/10.1140/epjst/e2012-01624-1.

Full text

APA, Harvard, Vancouver, ISO, and other styles

5

Woerner, Michael. "Femtosecond X-ray powder diffraction." Acta Crystallographica Section A Foundations and Advances 71, a1 (August 23, 2015): s150. http://dx.doi.org/10.1107/s205327331509779x.

Full text

APA, Harvard, Vancouver, ISO, and other styles

6

Attfield, J. P. "Resonant Powder X-Ray Diffraction." Materials Science Forum 228-231 (July 1996): 201–6. http://dx.doi.org/10.4028/www.scientific.net/msf.228-231.201.

Full text

APA, Harvard, Vancouver, ISO, and other styles

7

Mammadli, P. R., and D. M. Babanly. "POWDER X-RAY DIFFRACTION STUDY OF THE Cu3SbS3-CuI SYSTEM." Chemical Problems 21, no. 1 (2023): 57–63. http://dx.doi.org/10.32737/2221-8688-2023-1-57-63.

Full text

Abstract:

The nature of phase equilibria in the Cu3SbS3-CuI binary system over the entire concentration range were studied by means of the powder X-ray diffraction analysis (PXRD) for the first time at room temperature. It was found that the sample containing 66.7 mol.% CuI composed of a single phase and has a powder diffraction pattern completely different from the constituent phases of the system under study. The crystal lattice type and parameters, that were determined on the basis of the X-ray diffraction pattern of this sample using the TOPAS 4.2 and EVA computer programs are fully consistent with the literature data of the Cu5SbS3I2 four-component compound. The copper (I) iodide rich samples of the system consist of a two-phase mixture of Cu5SbS3I2 and CuI phases. However, the system is unstable in the Cu5SbS3I2-Cu3SbS3 composition range. In this concentration interval, the system is characterized by complex physico-chemical interaction of the initial components.

APA, Harvard, Vancouver, ISO, and other styles

8

Pu, Qian. "Simulation of X-ray powder diffraction." Journal of Chemical Education 69, no. 10 (October 1992): 815. http://dx.doi.org/10.1021/ed069p815.

Full text

APA, Harvard, Vancouver, ISO, and other styles

9

Woolsey, N. C., J. S. Wark, and D. Riley. "Sub-nanosecond X-ray powder diffraction." Journal of Applied Crystallography 23, no. 5 (October 1, 1990): 441–43. http://dx.doi.org/10.1107/s0021889890008500.

Full text

Abstract:

The X-rays emitted from a laser-produced plasma have been used to obtain powder diffraction patterns with exposures of less than a nanosecond. The X-rays were produced by focusing approximately 50 J of 0.53 μm laser light in a 600 ps (FWHM) pulse to a tight (~100 μm diameter) spot on a solid titanium target. The spectral brightness of the resonance line of the helium-like titanium thus produced was sufficient to record diffraction from LiF powder in a single exposure using the Seemann–Bohlin geometry. These results indicate that time-resolved measurements of the lattice parameters of polycrystalline materials can be made with sub-nanosecond temporal resolution.

APA, Harvard, Vancouver, ISO, and other styles

10

Tayebifard, S. A., K. Ahmadi, R. Yazdani-Rad, and M. Doroudian. "New X-ray powder diffraction data for Mo2.85Al1.91Si4.81." Powder Diffraction 21, no. 3 (September 2006): 238–40. http://dx.doi.org/10.1154/1.2244544.

Full text

Abstract:

X-ray powder diffraction data for Mo2.85Al1.91Si4.81 are reported. The new Mo2.85Al1.91Si4.81 compound was successfully prepared using the self-propagating high-temperature synthesis (SHS) technique. The starting atomic mixture of reactant powders was Mo+2(1−x)Si+2xAl with x=0.3. The final powder compound obtained by the SHS technique was determined to be Mo2.85Al1.91Si4.81 by ICP-AES. X-ray powder diffraction pattern of Mo2.85Al1.91Si4.81 was recorded using an X-ray powder diffractometer, Cu Kα radiation, and analyzed by automatic indexing programs. Mo2.85Al1.91Si4.81 was found to be hexagonal with a=4.6929(2) Å and c=6.5515(4) Å. The XRD results are in good agreement with those of Mo2.85Ga2Si4.15.

APA, Harvard, Vancouver, ISO, and other styles

11

Koster, Herman. "X-ray powder diffraction data for In3.85Zr2.80Sn0.35O12." Powder Diffraction 18, no. 1 (March 2003): 38–41. http://dx.doi.org/10.1154/1.1446862.

Full text

Abstract:

X-ray powder diffraction data for In3.85Zr2.80Sn0.35O12 are reported. The powders were prepared using a wet-chemical precipitation method. The XRD data could be fitted with a rhombohedral unit cell in space group R3 (No. 148). The Rietveld refined unit cell parameters are a=0.951 49(2) nm and c=0.889 51(2)nm in a hexagonal setting with Z=3 and Dx=6.69(1)g/cm3.

APA, Harvard, Vancouver, ISO, and other styles

12

Sedler, Ingo K., Anne Feenstra, and Tjerk Peters. "An X-ray powder diffraction study of synthetic (Fe,Mn)2TiO4 spinel." European Journal of Mineralogy 6, no. 6 (November 30, 1994): 873–86. http://dx.doi.org/10.1127/ejm/6/6/0873.

Full text

APA, Harvard, Vancouver, ISO, and other styles

13

Laufek, Frantiek, Richard Paout, and Emil Makovicky. "Crystal structure of owyheeite, Ag1.5Pb4.43Sb6.07S14: refinement from powder synchrotron X-ray diffraction." European Journal of Mineralogy 19, no. 4 (September 13, 2007): 557–66. http://dx.doi.org/10.1127/0935-1221/2007/0019-1740.

Full text

APA, Harvard, Vancouver, ISO, and other styles

14

Piovesan, Rebecca, Maria Chiara Dalconi, Lara Maritan, and Claudio Mazzoli. "X-ray powder diffraction clustering and quantitative phase analysis on historic mortars." European Journal of Mineralogy 25, no. 2 (June 12, 2013): 165–75. http://dx.doi.org/10.1127/0935-1221/2013/0025-2263.

Full text

APA, Harvard, Vancouver, ISO, and other styles

15

van Smaalen, Sander, Robert Dinnebier, Mikhail Sofin, and Martin Jansen. "Structures of incommensurate and commensurate composite crystals Na x CuO2 (x = 1.58, 1.6, 1.62)." Acta Crystallographica Section B Structural Science 63, no. 1 (January 15, 2007): 17–25. http://dx.doi.org/10.1107/s0108768106039462.

Full text

Abstract:

Na x CuO2 (x ≃ 1.6) has been synthesized for different compositions x, resulting in both commensurate and incommensurate composite crystals. The crystal structures are reported for two incommensurate compounds (x = 1.58 and 1.62) determined by Rietveld refinements against X-ray powder diffraction data. The incommensurate compounds and commensurate Na8Cu5O10 (x = 1.6) are found to possess similar structures, with valence fluctuations of Cu2+/Cu3+ as the origin of the modulations of the CuO2 subsystems; the displacive modulations of Na being defined by the closest Na—O contacts between the subsystems. A comparison of the structure models obtained from single-crystal X-ray diffraction, synchrotron-radiation X-ray powder diffraction and X-ray powder diffraction with Cu Kα1 radiation indicates that single-crystal X-ray diffraction is by far the most accurate method, while powder diffraction with radiation from an X-ray tube provides the least accurate structure model.

APA, Harvard, Vancouver, ISO, and other styles

16

Fewster, Paul F. "A new theory for X-ray diffraction." Acta Crystallographica Section A Foundations and Advances 70, no. 3 (March 27, 2014): 257–82. http://dx.doi.org/10.1107/s205327331400117x.

Full text

Abstract:

This article proposes a new theory of X-ray scattering that has particular relevance to powder diffraction. The underlying concept of this theory is that the scattering from a crystal or crystallite is distributed throughout space: this leads to the effect that enhanced scatter can be observed at the `Bragg position' even if the `Bragg condition' is not satisfied. The scatter from a single crystal or crystallite, in any fixed orientation, has the fascinating property of contributing simultaneously to many `Bragg positions'. It also explains why diffraction peaks are obtained from samples with very few crystallites, which cannot be explained with the conventional theory. The intensity ratios for an Si powder sample are predicted with greater accuracy and the temperature factors are more realistic. Another consequence is that this new theory predicts a reliability in the intensity measurements which agrees much more closely with experimental observations compared to conventional theory that is based on `Bragg-type' scatter. The role of dynamical effects (extinctionetc.) is discussed and how they are suppressed with diffuse scattering. An alternative explanation for the Lorentz factor is presented that is more general and based on the capture volume in diffraction space. This theory, when applied to the scattering from powders, will evaluate the full scattering profile, including peak widths and the `background'. The theory should provide an increased understanding of the reliability of powder diffraction measurements, and may also have wider implications for the analysis of powder diffraction data, by increasing the accuracy of intensities predicted from structural models.

APA, Harvard, Vancouver, ISO, and other styles

17

Berti, Giovanni, Rob Delhez, S. Norval, B. Peplinski, E. Tolle, and J. Verollet. "Standardisation of X-Ray Powder Diffraction Methods." Materials Science Forum 443-444 (January 2004): 31–34. http://dx.doi.org/10.4028/www.scientific.net/msf.443-444.31.

Full text

Abstract:

This paper outlines the standardisation process for the XRPD method that is currently being considered by a Working Group (WG10) of Technical Committee 138 "Non-destructive Testing" of the European Committee for Standardisation CEN. Several Standard Documents are on the verge of being released. These documents concern the general principles of (X-ray) diffraction, its terminology, and the basic procedures applied. Another document concerns the instruments used and it offers procedures to characterise and control the performance of an X-ray diffractometer properly. It is intended to issue Standard Documents on specific methods, e.g. determination of residual stresses. In fact work is in progress on this subject. The Standard Documents can be used by industry, government organisations, and research centres with activities related to safety, health and the environment, as well as for educational purposes.

APA, Harvard, Vancouver, ISO, and other styles

18

Giannini, C., A. Guagliardi, D. Zanchet, A. Cervellino, and M. Ladisa. "X-ray powder diffraction characterization of nanoparticles." Acta Crystallographica Section A Foundations of Crystallography 61, a1 (August 23, 2005): c405. http://dx.doi.org/10.1107/s0108767305082814.

Full text

APA, Harvard, Vancouver, ISO, and other styles

19

Hargreaves *, J. S. J. "Powder X-ray diffraction and heterogeneous catalysis." Crystallography Reviews 11, no. 1 (January 2005): 21–34. http://dx.doi.org/10.1080/08893110500078324.

Full text

APA, Harvard, Vancouver, ISO, and other styles

20

Lebedev, Yu A., Yu M. Korolev, V. M. Polikarpov, L. N. Ignat’eva, and E. M. Antipov. "X-ray powder diffraction study of polytetrafluoroethylene." Crystallography Reports 55, no. 4 (July 2010): 609–14. http://dx.doi.org/10.1134/s1063774510040127.

Full text

APA, Harvard, Vancouver, ISO, and other styles

21

Kawamura, H., Y. Akahama, S. Umemoto, K. Takemura, Y. Ohishi, and O. Shimomura. "X-ray powder diffraction from solid deuterium." Solid State Communications 119, no. 1 (June 2001): 29–32. http://dx.doi.org/10.1016/s0038-1098(01)00193-4.

Full text

APA, Harvard, Vancouver, ISO, and other styles

22

Jarabek, B. R., D. G. Grier, and G. J. McCarthy. "X-ray powder diffraction data for BaPbO3." Powder Diffraction 11, no. 1 (March 1996): 56–59. http://dx.doi.org/10.1017/s0885715600008939.

Full text

Abstract:

Crystal and X-ray powder diffraction data are presented for BaPbO3. The powder pattern was indexed and refined on an orthorhombic cell with a=6.0264(3)Å , b=8.5078(3)Å , c=6.0629(2)Å, Z=4, space group Imma. The phase may actually be monoclinic with space group I2/m, but no distortion from the orthorhombic cell was evident in the powder patterns, suggesting a β angle very close to 90.0°.

APA, Harvard, Vancouver, ISO, and other styles

23

Chandra Shekar, N. V., P. Ch Sahu, M. Sekar, Mohammad Yousuf, and K. Govinda Rajan. "Powder X-ray diffraction data for UAl4." Powder Diffraction 11, no. 4 (December 1996): 299–300. http://dx.doi.org/10.1017/s0885715600009295.

Full text

Abstract:

The X-ray diffraction data for the single phase UAl4 are reported. The data were obtained with a Huber–Guinier diffractometer with MoKα1 radiation. The unit cell of UAl4 is orthorhombic (space group Imma) with lattice parameters a=4.396 Å, b=6.251 Å, and c=13.699 Å.

APA, Harvard, Vancouver, ISO, and other styles

24

Ghosh, G., G. V. Narasimha Rao, V. S. Sastry, A. Bharathi, Y. Hariharan, and T. S. Radhakrishnan. "X-ray powder diffraction data of CoSi." Powder Diffraction 12, no. 4 (December 1997): 252–54. http://dx.doi.org/10.1017/s0885715600009842.

Full text

Abstract:

X-ray powder diffraction data of CoSi are reported. The sample was prepared by an arc melting process and has a cubic structure (space group P213, space group No. 198) with lattice parameter a=4.4427 Å, Dx=6.591 gcm−3, Z=4, and I/Ic=1.03.

APA, Harvard, Vancouver, ISO, and other styles

25

Gravereau, P., B. Es-Sakhi, and C. Fouassier. "Powder X-ray diffraction data for Ba12Cl5F19." Powder Diffraction 13, no. 3 (September 1998): 157–58. http://dx.doi.org/10.1017/s0885715600010010.

Full text

APA, Harvard, Vancouver, ISO, and other styles

26

Nong, Liangqin, and Lingmin Zeng. "X-ray powder diffraction study on ErNi2Ge2." Powder Diffraction 14, no. 2 (June 1999): 145–46. http://dx.doi.org/10.1017/s0885715600010472.

Full text

Abstract:

An X-ray diffraction pattern for ErNi2Ge2 at room temperature is reported. ErNi2Ge2 is tetragonal with lattice parameters a=4.0191(2) Å, c=9.7643(2) Å, space group I4/mmm, and Z=2. The lattice parameters derived from Rietveld analysis agree well with the results of a least-squares refinement.

APA, Harvard, Vancouver, ISO, and other styles

27

Raade, Gunnar, and Hans-Jørgen Berg. "Powder X-ray diffraction data for innelite." Powder Diffraction 15, no. 1 (March 2000): 62–64. http://dx.doi.org/10.1017/s088571560001085x.

Full text

Abstract:

X-ray powder data originally published for innelite—Na2Ba3(Ba, K, Mn)(Ca, Na)Ti(TiO2)2[Si2O7]2(SO4)2—were erroneously those of catapleiite. The new data reported here are compared with powder data calculated from the published structure. The cell is triclinic (space group P1, Z=1), a=14.71(1) Å, b=7.115(7) Å, c=5.379(4) Å, α=90.02(7)°, β=94.68(8)°, γ=98.43(9)°, V=555.0(6) Å3, F30=5.2(0.053,109).

APA, Harvard, Vancouver, ISO, and other styles

28

Rashmi and D. K. Suri. "X-ray powder diffraction study of CuInSeTe." Powder Diffraction 15, no. 1 (March 2000): 65–68. http://dx.doi.org/10.1017/s0885715600010861.

Full text

Abstract:

CuInSeTe was synthesized by the melt and anneal technique. The compound crystallized in the chalcopyrite structure having space group I4¯2d with Z=4. Complete X-ray powder diffraction data were obtained and the unit cell parameters a and c, X-ray density and u parameter were calculated. These are a=0.5987(1) nm, c=1.1979(4) nm, Dx=5.96×103kg/m3, and u=0.2498. Atomic positions in the unit cell are proposed.© 2000 International Centre for Diffraction Data.

APA, Harvard, Vancouver, ISO, and other styles

29

Subramanian, N., N. V. Chandra Shekar, P. Ch Sahu, Mohammad Yousuf, and K. Govinda Rajan. "Powder X-ray diffraction data of BaFI." Powder Diffraction 15, no. 2 (June 2000): 130–33. http://dx.doi.org/10.1017/s0885715600010988.

Full text

Abstract:

This paper presents the powder X-ray diffraction data of BaFI recorded using a Guinier diffractometer and Mo Kα1 radiation. BaFI stabilizes at standard temperature of 25 °C and standard-atmospheric pressure (STP) in the tetragonal structure (space group P4/nmm; No. 129) with lattice parameters a=4.660(1) Å and c=7.960(5) Å. Our observed pattern is different from the existing observed powder diffraction data reported in the PDF files 34-716 (Beck, 1976) and 31-139 (), but matches almost perfectly with the pattern calculated by us from the reported single crystal data ( and with the calculated data available in PDF file 70-0481. Further, our data provide a number of new Bragg peaks extending beyond the range of d values available in the existing PDF files.

APA, Harvard, Vancouver, ISO, and other styles

30

McCusker, L. B. "Product characterization by X-ray powder diffraction." Microporous and Mesoporous Materials 22, no. 4-6 (January 1998): 527–29. http://dx.doi.org/10.1016/s1387-1811(98)80016-4.

Full text

APA, Harvard, Vancouver, ISO, and other styles

31

Newman, Justin A., Paul D. Schmitt, Scott J. Toth, Fengyuan Deng, Shijie Zhang, and Garth J. Simpson. "Parts per Million Powder X-ray Diffraction." Analytical Chemistry 87, no. 21 (October 22, 2015): 10950–55. http://dx.doi.org/10.1021/acs.analchem.5b02758.

Full text

APA, Harvard, Vancouver, ISO, and other styles

32

Spraget, H. W. G. "Spreadsheet simulation of x-ray powder diffraction." Computers & Education 13, no. 2 (January 1989): 101–8. http://dx.doi.org/10.1016/0360-1315(89)90002-x.

Full text

APA, Harvard, Vancouver, ISO, and other styles

33

Kawamura, H., Y. Akahama, S. Umemoto, K. Takemura, Y. Ohishi, and O. Shimomura. "X-ray powder diffraction from solid deuterium." Journal of Physics: Condensed Matter 14, no. 44 (October 25, 2002): 10407–10. http://dx.doi.org/10.1088/0953-8984/14/44/301.

Full text

APA, Harvard, Vancouver, ISO, and other styles

34

Tarling, S. E. "Laboratory high-temperature X-ray powder diffraction." Phase Transitions 39, no. 1-4 (September 1992): 199–213. http://dx.doi.org/10.1080/01411599208203482.

Full text

APA, Harvard, Vancouver, ISO, and other styles

35

Bayliss, Peter. "Powder X-ray diffraction data of rossite." Mineralogical Magazine 49, no. 350 (March 1985): 140–41. http://dx.doi.org/10.1180/minmag.1985.049.350.24.

Full text

APA, Harvard, Vancouver, ISO, and other styles

36

Henaoa, J. A., J. M. Delgado, and M. Quintero. "X-ray powder diffraction data for CuFeSe2." Powder Diffraction 9, no. 2 (June 1994): 108–10. http://dx.doi.org/10.1017/s0885715600014068.

Full text

Abstract:

Recent X-ray single-crystal diffraction studies have shown that CuFeSe2 crystallizes in the tetragonal system with space group P2c [, No. 112], Z = 4, with a =5.530(1) Å and c = 11.049(2) Å, c/a = 1.998. This material had been reported as pseudocubic with a =5.53 Å. The purpose of this paper is to present new X-ray powder diffraction data for CuFeSe2 and to compare the results with those reported for eskebornite, a mineral with ideal chemical composition CuFeSe2, and with those obtained from single-crystal structure data.

APA, Harvard, Vancouver, ISO, and other styles

37

Garin, Jorge L., and Rodolfo L. Mannheim. "X-ray powder diffraction pattern of Mo4.8Si3C0.6." Powder Diffraction 8, no. 1 (March 1993): 65–67. http://dx.doi.org/10.1017/s0885715600017784.

Full text

Abstract:

The title compound was synthesized by high temperature reaction of the component elements. This phase, formerly classified in the group of Nowotny phases, crystallizes in the hexagonal system with space group P63/mcm. Crystal data and indexed X-ray powder diffraction data are reported.

APA, Harvard, Vancouver, ISO, and other styles

38

Kennedy, Brendan J. "X-ray powder diffraction study of BiSbO4." Powder Diffraction 9, no. 3 (September 1994): 164–67. http://dx.doi.org/10.1017/s0885715600019151.

Full text

Abstract:

A Rietveld refinement of powder X-ray diffraction data of BiSbO4 is reported. The refined lattice parameters are a =5.4690(2), b =4.8847(3), c = 11.8252(6) Å, and β = 101.131(3)°. The powder data are compared with the PDF patterns designated BiSbO4 (30-177) and SbBiO4 (7-191).

APA, Harvard, Vancouver, ISO, and other styles

39

Zhang, Li Li, Qing Qing Pan, Dan Xiao, Xiao Qing Wu, Qing Wang, and Hui Li. "X-ray powder diffraction data for deoxyschisandrin." Powder Diffraction 28, no. 3 (April 16, 2013): 231–33. http://dx.doi.org/10.1017/s0885715613000067.

Full text

Abstract:

X-ray powder diffraction data, unit-cell parameters, and space group for deoxyschisandrin, C24H32O6, are reported [a = 13.083(3) Å, b = 19.563(9) Å, c = 8.805(6) Å, β = 90.472(0)°, unit-cell volume V = 2253.82 Å3, Z = 4, and space group P21]. All measured lines were indexed and are consistent with the P21 space group. No detectable impurity was observed.

APA, Harvard, Vancouver, ISO, and other styles

40

Tang, Pei Xiao, Xiao Qing Wu, Qing Qing Pan, Li Li Zhang, Qiang Cheng, and Hui Li. "X-ray powder diffraction data for norandrostenedione." Powder Diffraction 28, no. 4 (May 29, 2013): 302–4. http://dx.doi.org/10.1017/s088571561300047x.

Full text

Abstract:

X-ray powder diffraction data, unit-cell parameters, and space group for norandrostenedione, C18H24O2, are reported [a = 26.3955(15) Å, b = 8.0476(4) Å, c = 7.3002(3) Å, α = β = γ = 90°, unit-cell volume V = 1550.71 Å3, Z = 4, and space group P212121]. All measured lines were indexed and are consistent with the P212121 space group. No detectable impurity was observed.

APA, Harvard, Vancouver, ISO, and other styles

41

Xiao, Dan, Li Li Zhang, Xiao Qing Wu, Jin Yan, Wei Luo, and Hui Li. "X-ray powder diffraction data for peiminine." Powder Diffraction 28, no. 4 (July 29, 2013): 312–14. http://dx.doi.org/10.1017/s0885715613000535.

Full text

Abstract:

X-ray powder diffraction data, unit-cell parameters and space group for peiminine, C27H43NO3, are reported (a = 30.2026 Å, b = 5.8468 Å, c = 14.4344 Å, β = 96.9456°, unit-cell volume V = 2530.23 Å3, Z = 2 and space group P21). All measured lines were indexed and are consistent with the P21 space group. No detectable impurity was observed.

APA, Harvard, Vancouver, ISO, and other styles

42

Tang, Pei Xiao, Xiao Qing Wu, Li Li Zhang, Qiang Cheng, and Hui Li. "X-ray powder diffraction data for norethindrone." Powder Diffraction 29, no. 1 (October 10, 2013): 46–47. http://dx.doi.org/10.1017/s0885715613000729.

Full text

Abstract:

Experimental X-ray powder diffraction data, unit-cell parameters, and space group for norethindrone, C20H26O2, are reported [a = 20.7484(12) Å, b = 12.1678(9) Å, c = 6.5561(2) Å, α = β = γ = 90°, unit-cell volume V = 1655.17(16) Å3, Z = 4 and space group P212121]. All measured lines were indexed and are consistent with the P212121 space group. No detectable impurity was observed.

APA, Harvard, Vancouver, ISO, and other styles

43

Xu, Kai Lin, Bing Liang, Xiao Qing Wu, Li Li Zhang, Pei Xiao Tang, and Hui Li. "X-ray powder diffraction data for levetiracetam." Powder Diffraction 29, no. 1 (October 10, 2013): 51–52. http://dx.doi.org/10.1017/s0885715613000742.

Full text

Abstract:

Experimental X-ray powder diffraction data, unit-cell parameters, and space group for levetiracetam, C8H14N2O2, are reported [a = 9.197(5) Å, b = 8.006(0) Å, c = 6.289(3) Å, β = 108.457(3)°, unit-cell volume V = 439.261 Å3, Z = 2, and space group P21]. All measured lines were indexed and are consistent with the P21 space group. No detectable impurity was observed.

APA, Harvard, Vancouver, ISO, and other styles

44

Zhang, Li Li, Dan Xiao, Xia Lin, Wei Luo, Si Li, and Hui Li. "X-ray powder diffraction data for schisanhenol." Powder Diffraction 29, no. 1 (October 10, 2013): 48–50. http://dx.doi.org/10.1017/s0885715613000778.

Full text

Abstract:

Experimental X-ray powder diffraction data, unit-cell parameters and space group for schisanhenol, C23H30O6, are reported [a = 14.6157 Å, b = 12.8801 Å, c = 11.4907 Å, unit-cell volume V = 2163.14 Å3, Z = 4, and space group P212121]. All of the measured lines were indexed and are consistent with the P212121 space group. No detectable impurities were observed.

APA, Harvard, Vancouver, ISO, and other styles

45

Rodriguez, Mark A., James J. M. Griego, Harlan J. Brown-Shaklee, Mia A. Blea-Kirby, John F. Ihlefeld, and Erik D. Spoerke. "X-ray powder diffraction study of La2LiTaO6." Powder Diffraction 30, no. 1 (November 21, 2014): 57–62. http://dx.doi.org/10.1017/s0885715614001183.

Full text

Abstract:

The structure of La2LiTaO6 has been derived from the powder X-ray powder diffraction (XRD) data. La2LiTaO6 is monoclinic with unit-cell parameters a = 5.621(1) Å, b = 5.776(1) Å, c = 7.954(2) Å, β = 90.34(2)°, space group P21/n (14), and Z = 2. The structure of La2LiTaO6 is an ordered perovskite with alternating Li and Ta octahedra. A new set of powder XRD data (d-spacing and intensity listing) has been generated to replace entry 00-039-0897 within the Powder Diffraction File. The newly elucidated structural data for La2LiTaO6 shall facilitate quantitative analysis of this impurity phase which is often observed during synthesis of the fast-ion conductor phase Li5La3Ta2O12.

APA, Harvard, Vancouver, ISO, and other styles

46

Si, Ping-Zhan, Jung Tae Lim, Jihoon Park, and Chul-Jin Choi. "X-ray powder diffraction data for Mn4C." Powder Diffraction 34, no. 2 (April 11, 2019): 196–97. http://dx.doi.org/10.1017/s0885715619000265.

Full text

Abstract:

We report on the X-ray diffraction data and unit-cell parameters of Mn4C, which has a cubic perovskite-type structure with a = 3.8726 Å and unit-cell volume V = 58.1 Å3. The measured lines were indexed and are consistent with the space group $ Pm { \bar {\it 3}} m$ (No. 221).

APA, Harvard, Vancouver, ISO, and other styles

47

Kaduk, James A., Amy M. Gindhart, and Thomas N. Blanton. "Powder X-ray diffraction of capecitabine, C15H22FN3O6." Powder Diffraction 34, no. 3 (July 11, 2019): 282–83. http://dx.doi.org/10.1017/s0885715619000575.

Full text

Abstract:

Capecitabine (Xeloda) is a chemotherapy drug used to treat breast, gastric, and colorectal cancers. Commercial capecitabine crystallizes in the orthorhombic space group P212121 (#19) with a = 5.20587(3), b = 9.52324(4), c = 34.79574(21) Å, V = 1725.062(12) Å3, and Z = 4. A reduced cell search in the Cambridge Structural Database (Groom C. R., Bruno, I. J., Lightfoot, M. P., and Ward, S. C. (2016) Crystallogr. Sect. B: Struct. Sci., Cryst. Eng. Mater.72, 171–179) yielded three previous structure determinations (Rohlicek, J., Husak, M., Gavenda, A., Jegorov, A., Kratochvil, B., and Fitch, A. (2016). Acta Cryst. Sect. E: Crystallgr. Commun.72, 879–880, BOVDUM; Malińska, M., Krzeczyński, P., Czerniec-Michalik, E., Trzcińska, K., Cmoch, P., Kutner, A., and Woźniak, K. (2014). J. Pharm. Sci.103, 587–593, BOVDUM01 and BOVDUM02), using synchrotron powder data and later single crystal data at two temperatures. In this work, the sample was ordered from United States Pharmacopeial Convention (lot # G0J205), and analyzed as-received. The room temperature (295 K) crystal structure was refined using synchrotron (λ = 0.413914 Å) powder diffraction data, density functional theory (DFT), and Rietveld refinement techniques. Hydrogen positions were included as part of the structure, and were re-calculated during the refinement. The diffraction data were collected on a beamline 11-BM at the Advanced Photon Source, Argonne National Laboratory and the powder X-ray diffraction pattern of the compound is provided. The agreement of the Rietveld-refined and DFT-optimized structures is poorest in the pentyl side chain, consistent with the disorder observed previously.

APA, Harvard, Vancouver, ISO, and other styles

48

Patel, Nilan V., Joseph T. Golab, James A. Kaduk, Amy M. Gindhart, and Thomas N. Blanton. "Powder X-ray diffraction of flucytosine, C4H4FN3O." Powder Diffraction 35, no. 1 (January 7, 2020): 67–68. http://dx.doi.org/10.1017/s0885715619000903.

Full text

Abstract:

Flucytosine, CAS #2022-85-7, crystallizes in the tetragonal space group P41212 (#94) with a = 6.643768(27), c = 23.89009(10) Å, V = 1054.500(7) Å3, and Z = 8. In this work, the sample was obtained from the United States Pharmacopeial Convention (USP) Lot #R03100 and analyzed as-received. The room temperature (295 K) crystal structure was refined using synchrotron (λ = 0.412826 Å) powder diffraction data and optimized using the density functional theory (DFT). When looking down the a-axis, the crystal structure consists of multiple ribbon-like structures stacked into columns. The powder X-ray diffraction pattern of the compound has been submitted to ICDD® for inclusion in the Powder Diffraction File™ (PDF®). The agreement of the Rietveld-refined and DFT-optimized structures is good, with the largest difference in the external amine group with an overall root mean displacement of 0.056 Å. There is also evidence of unit cell expansion at higher temperatures, as the volume of the unit cell at 298 K was 1.6–1.9% greater than the two unit cells obtained at 150 K. A N–H⋯O hydrogen bond exists in the inter-ribbon region between the flucytosine molecules, resulting in a 3D hydrogen bond network.

APA, Harvard, Vancouver, ISO, and other styles

49

Gonzalez, Diana, Joseph T. Golab, James A. Kaduk, Amy M. Gindhart, and Thomas N. Blanton. "Powder X-ray diffraction of fluorometholone, C22H29FO4." Powder Diffraction 35, no. 1 (March 2020): 71–72. http://dx.doi.org/10.1017/s0885715619000915.

Full text

Abstract:

Commercial fluorometholone, CAS #426-13-1, crystallizes in the monoclinic space group P21 (#4) with a = 6.40648(2), b = 13.43260(5), c = 11.00060(8) Å, β = 92.8203(5)°, V = 945.517(5) Å3, and Z = 2. A reduced cell search in the Cambridge Structural Database yielded one previous structure determination, using single-crystal data at 292 K. In this work, the sample was ordered from the United States Pharmacopeial Convention (Lot # R032K0) and analyzed as-received. The room temperature (295 K) crystal structure was refined using synchrotron (λ = 0.412826 Å) powder diffraction data and optimized using density functional theory (DFT) techniques. Hydrogen positions were included as a part of the structure and were re-calculated during the refinement. The diffraction data were collected on beamline 11-BM at the Advanced Photon Source, Argonne National Laboratory, and the powder X-ray diffraction pattern of the compound has been submitted to ICDD® for inclusion in the Powder Diffraction File™. The agreement of the Rietveld-refined and DFT-optimized structures is excellent; the root-mean-square Cartesian displacement is 0.060 Å. In addition to the O–H⋯O hydrogen bonds observed by Park et al. (Park, Y. J., Lee, M. Y., and Cho, S. I. (1992). “Fluorometholone,” J. Korean Chem. Soc. 36, 812–817), C–H⋯O hydrogen bonds contribute to the crystal energy.

APA, Harvard, Vancouver, ISO, and other styles

50

Ivashkevich, Ludmila S., Kirill A. Selevich, Anatoly I. Lesnikovich, and Anatoly F. Selevich. "X-ray powder diffraction study of LiCrP2O7." Acta Crystallographica Section E Structure Reports Online 63, no. 3 (February 14, 2007): i70—i72. http://dx.doi.org/10.1107/s1600536807005752.

Full text

Abstract:

The monoclinic crystal structure of lithium chromium(III) diphosphate, LiCrP2O7, isotypic with other members of the series LiM IIIP2O7 (M III = Mn, Fe, V, Mo, Sc and In), was refined from laboratory X-ray powder diffraction data using the Rietveld method. The Cr3+ cation is bonded to six O atoms from five diphosphate anions to form a distorted octahedron. Links between the bent diphosphate anions and the Cr3+ cations result in a three-dimensional network, with tunnels filled by the Li+ cations in a considerably distorted tetrahedral environment of O atoms.

APA, Harvard, Vancouver, ISO, and other styles

We offer discounts on all premium plans for authors whose works are included in thematic literature selections. Contact us to get a unique promo code!