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

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Published: 10 December 2022
Last updated: 28 January 2023

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1

Bish, D. L., and Steve J. Chipera. "Accuracy in Quantitative X-ray Powder Diffraction Analyses." Advances in X-ray Analysis 38 (1994): 47–57. http://dx.doi.org/10.1154/s0376030800017638.

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Abstract Accuracy, or how well a measurement conforms to the true value of a parameter, is important in XRD analyses in three primary areas, 1) 26 position or d-spacing; 2) peak shape; and 3) intensity. Instrumental factors affecting accuracy include zero-point, axial-divergence, and specimen- displacement errors, step size, and even uncertainty in X-ray wavelength values. Sample factors affecting accuracy include specimen transparency, structural strain, crystallite size, and preferred orientation effects. In addition, a variety of other sample-related factors influence the accuracy of quantitative analyses, including variations in sample composition and order/disorder. The conventional method of assessing accuracy during experimental diffractometry measurements is through the use of certified internal standards. However, it is possible to obtain highly accurate d-spacings without an internal standard using a well-aligned powder diffractometer coupled with data analysis routines that allow analysis of and correction for important systematic errors. The first consideration in such measurements is the use of methods yielding precise peak positions, such as profile fitting. High accuracy can be achieved if specimen-displacement, specimen- transparency, axial-divergence, and possibly zero-point corrections are included in data analysis. It is also important to consider that most common X-ray wavelengths (other than Cu Kα1) have not been measured with high accuracy. Accuracy in peak-shape measurements is important in the separation of instrumental and sample contributions to profile shape, e.g., in crystallite size and strain measurements. The instrumental contribution must be determined accurately using a standard material free from significant sample-related effects, such as NIST SRM 660 (LaB6). Although full-pattern fitting methods for quantitative analysis are available, the presence of numerous systematic errors makes the use of an internal standard, such as a-alumina mandatory to ensure accuracy; accuracy is always suspect when using external-standard, constrained-total quantitative analysis methods. One of the most significant problems in quantitative analysis remains the choice of representative standards. Variations in sample chemistry, order-disorder, and preferred orientation can be accommodated only with a thorough understanding of the coupled effects of all three on intensities. It is important to recognize that sample preparation methods that optimize accuracy for one type of measurement may not be appropriate for another. For example, the very fine crystallite size that is optimum for quantitative analysis is unnecessary and can even be detrimental in d-spacing and peak shape measurements.
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2

KINOSHITA, KENICHI, HIDEKI HARANO, KOJI YOSHII, TAKERU OHKUBO, ATSUSHI FUKASAWA, KEI NAKAMURA, and MITSURU UESAKA. "Time-resolved X-ray diffraction at NERL." Laser and Particle Beams 19, no. 1 (January 2001): 125–31. http://dx.doi.org/10.1017/s0263034601191196.

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For ultrafast material analyses, we constructed the time-resolved X-ray diffraction system utilizing ultrashort X-rays from laser-produced plasma generated by the 12-TW–50-fs laser at the Nuclear Engineering Research Laboratory. Ultrafast transient changes in laser-irradiated GaAs crystals were observed as X-ray diffraction patterns. Experimental results were compared with numerical analyses.
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3

Choy, J. H., S. H. Hwang, G. Demazeau, and D. Y. Jung. "X-Ray Diffraction and X-Ray Absorption Spectrocopic Analyses for the Ruthenium Perovskites." Le Journal de Physique IV 7, no. C2 (April 1997): C2–763—C2–764. http://dx.doi.org/10.1051/jp4:1997230.

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4

Bedboudi, H., A. Bourbia, M. Draissia, and M. Y. Debili. "X-Ray Diffraction Studies of Nanostructured Metallic Alloys." Journal of Nano Research 3 (October 2008): 45–58. http://dx.doi.org/10.4028/www.scientific.net/jnanor.3.45.

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X-ray tools are being powerful methods for qualitative and quantitative analyses of nanocrystalline materials This work is an overview of detailed X-ray investigations relative to microstructural studies applied for a refined binary Al-based alloys thin films system as samples deposited on glass substrates. Energy dispersive analysis of X-ray (EDAX), X-ray diffraction (XRD) and transmission electron microscopy (TEM) methods were used to determine the chemical composition, the microstructure parameters and the solubility of copper in aluminum.
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5

Sekiguchi, Yuki, Tomotaka Oroguchi, Yuki Takayama, and Masayoshi Nakasako. "Data processing software suiteSITENNOfor coherent X-ray diffraction imaging using the X-ray free-electron laser SACLA." Journal of Synchrotron Radiation 21, no. 3 (March 15, 2014): 600–612. http://dx.doi.org/10.1107/s1600577514003439.

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Coherent X-ray diffraction imaging is a promising technique for visualizing the structures of non-crystalline particles with dimensions of micrometers to sub-micrometers. Recently, X-ray free-electron laser sources have enabled efficient experiments in the `diffraction before destruction' scheme. Diffraction experiments have been conducted at SPring-8 Angstrom Compact free-electron LAser (SACLA) using the custom-made diffraction apparatus KOTOBUKI-1 and two multiport CCD detectors. In the experiments, ten thousands of single-shot diffraction patterns can be collected within several hours. Then, diffraction patterns with significant levels of intensity suitable for structural analysis must be found, direct-beam positions in diffraction patterns determined, diffraction patterns from the two CCD detectors merged, and phase-retrieval calculations for structural analyses performed. A software suite namedSITENNOhas been developed to semi-automatically apply the four-step processing to a huge number of diffraction data. Here, details of the algorithm used in the suite are described and the performance for approximately 9000 diffraction patterns collected from cuboid-shaped copper oxide particles reported. Using theSITENNOsuite, it is possible to conduct experiments with data processing immediately after the data collection, and to characterize the size distribution and internal structures of the non-crystalline particles.
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6

McCarthy, G. J., D. M. Johansen, S. J. Steinwand, and A. Thedchanamoorthy. "X-Ray Diffraction Analysis of Fly ASH." Advances in X-ray Analysis 31 (1987): 331–42. http://dx.doi.org/10.1154/s037603080002214x.

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AbstractMethods for, and results from, x-ray diffraction analysis of large numbers of fly ash samples obtained from U.S. power plants are described. Qualitative XRD indicates that low-calcium/Class F fly ash (usually derived from bituminous coal) consists typically of the crystalline phases quartz, mullite, hematite and magnetite in a matrix of aluminosilicate glass. Highcalcium fly ash (derived from low-rank coal) has a much more complex assemblage of crystalline phases that typically includes these four phases plus lime, periclase, anhydrite, alkali sulfates, tricalcium aluminate, dicalcium silicate, melilite, merwinlte and a sodalite-structure phase. Glass compositions among the particles are more heterogeneous and range from calcium aluminate to sodium calcium aluminosilicate, Every ash studied Is mixed with an internal Intensity standard (rutile) so that Intensity ratios can be used to make comparisons of the relative amounts of crystalline phases. An error analysis was performed to define the level of uncertainty in making these comparisons. These intensity ratios will be used for quantitative XRD phase analyses when reference intensity ratios for each fly ash phase become available.
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7

Volz, H. M., and R. J. Matyi. "Triple-axis X-ray diffraction analyses of lysozyme crystals." Acta Crystallographica Section D Biological Crystallography 56, no. 7 (July 1, 2000): 881–89. http://dx.doi.org/10.1107/s090744490000593x.

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8

Volz, H. M., R. E. Hackenberg, A. M. Kelly, W. L. Hults, A. C. Lawson, R. D. Field, D. F. Teter, and D. J. Thoma. "X-ray diffraction analyses of aged U–Nb alloys." Journal of Alloys and Compounds 444-445 (October 2007): 217–25. http://dx.doi.org/10.1016/j.jallcom.2006.11.089.

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9

Volz, H. M., and R. J. Matyi. "High-resolution X-ray diffraction analyses of protein crystals." Philosophical Transactions of the Royal Society of London. Series A: Mathematical, Physical and Engineering Sciences 357, no. 1761 (October 1999): 2789–99. http://dx.doi.org/10.1098/rsta.1999.0466.

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10

Matyi, R. J., W. A. Doolittle, and A. S. Brown. "High resolution x-ray diffraction analyses of GaN/LiGaO2." Journal of Physics D: Applied Physics 32, no. 10A (January 1, 1999): A61—A64. http://dx.doi.org/10.1088/0022-3727/32/10a/313.

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11

Kincaid, P. J., R. A. Newman, and T. G. Fawcett. "Instrumental Capabilites in X-Ray Diffraction Analysis: Comparative Techniques." Advances in X-ray Analysis 30 (1986): 407–12. http://dx.doi.org/10.1154/s0376030800021558.

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The following study is an evaluation of several different types of instrumentation available for use in powder x-ray diffraction work. The particular units used are those at the Dow Chemical Company x-ray diffraction lab. The variety of instrumentation allows analyses from routine phase identification to more specialized work such as low-angle x-ray diffraction of polymers and high-resolution analysis for cell parameter refinements.The purpose of this work is to compare the relative capabilities of these different instruments under typical day-to-day operating conditions. While not a comprehensive study, the conclusions drawn should be applicable to powder x-ray diffraction in general.
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12

Taylor, G. Jeffrey, Linda M. V. Martel, Paul G. Lucey, Jeffrey J. Gillis-Davis, David F. Blake, and Philippe Sarrazin. "Modal analyses of lunar soils by quantitative X-ray diffraction analysis." Geochimica et Cosmochimica Acta 266 (December 2019): 17–28. http://dx.doi.org/10.1016/j.gca.2019.07.046.

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13

Chung, Frank H. "Quantitative X-ray diffraction and X-ray fluorescence analyses of mixtures – unified and simplified." Journal of Applied Crystallography 51, no. 3 (May 18, 2018): 789–95. http://dx.doi.org/10.1107/s1600576718005228.

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Owing to the complex matrix effects, the current approach to quantitative X-ray diffraction (XRD) and X-ray fluorescence (XRF) analyses of mixtures requires calibration lines from standards, and is hence tedious and time consuming. New insights reveal that both the matrix effects and the calibration lines can be eliminated mathematically. Any complex mixture can be transformed into a set of simple binary mixtures. One straightforward formula decodes both XRD and XRF. A single XRD or XRF scan quantifies the chemical compounds or chemical elements in any mixture. The unified and simplified procedure reduces by some 80% the laboratory work associated with current practice. Five sets of experimental data are presented to verify its applications. Statistical evaluation of this new procedure gives a precision of ±5% or better, which is normally expected from XRD and XRF analyses.
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14

Krause, Werner. "X-ray powder diffraction data for botallackite." Powder Diffraction 21, no. 1 (March 2006): 59–62. http://dx.doi.org/10.1154/1.2104548.

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Botallackite, Cu2(OH)3Cl, from the Botallack mining area in Cornwall, United Kingdom, has been reinvestigated regarding physical, optical, chemical, and X-ray powder diffraction data. It forms emerald-green tabular crystals slightly elongated along [010] with {001} (dominant), {100}, {010}, and {011}. Botallackite is biaxial positive, 2V=70(2)°, the optical orientation is Y∧c 22(2)° (in obtuse β), Z=b. Electron-microprobe analyses gave CuO 73.26, ZnO 0.22, Cl 16.80, H2O (calc) 12.37, total 102.65, less O=Cl 3.79, total 98.86 wt %, corresponding to the empirical formula Cu1.99Zn0.01(OH)2.97Cl1.03 (based on four anions). Unit cell parameters refined from X-ray powder diffraction data are a 5.7155(5), b 6.1255(6), c 5.6336(4) Å, β 93.090(8), V 196.95(2)Å3,Z=2.
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15

Ramli. "X-Ray Diffraction and X-Ray Fluorescent Analyses of Prehistoric Pottery Shards from Ulu Kelantan." American Journal of Applied Sciences 8, no. 12 (December 1, 2011): 1337–42. http://dx.doi.org/10.3844/ajassp.2011.1337.1342.

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16

Park, Dae-Hwan, Jae-Hun Yang, Ajayan Vinu, Ahmed Elzatahry, and Jin-Ho Choy. "X-ray diffraction and X-ray absorption spectroscopic analyses for intercalative nanohybrids with low crystallinity." Arabian Journal of Chemistry 9, no. 2 (March 2016): 190–205. http://dx.doi.org/10.1016/j.arabjc.2015.07.007.

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17

Serwicka, E. M. "Surface area and porosity, X-ray diffraction and chemical analyses." Catalysis Today 56, no. 4 (March 2000): 335–46. http://dx.doi.org/10.1016/s0920-5861(99)00293-x.

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18

Hasegawa, Hiroshi, and Itaru Yasui. "X-ray and neutron diffraction analyses of barium silicate glass." Journal of Non-Crystalline Solids 95-96 (December 1987): 201–8. http://dx.doi.org/10.1016/s0022-3093(87)80111-4.

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19

Riley, K. W., and A. Horne. "X-ray diffraction and chemical analyses of magnesium aluminium fluoride." Analytica Chimica Acta 182 (1986): 257–59. http://dx.doi.org/10.1016/s0003-2670(00)82460-5.

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20

Gauzzi, F., B. Verdini, A. Maddalena, and G. Principi. "X-ray diffraction and mössbauer analyses of SnO disproportionation products." Inorganica Chimica Acta 104, no. 1 (October 1985): 1–7. http://dx.doi.org/10.1016/s0020-1693(00)83778-0.

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21

Kubler, Regis, Laurent Barrallier, Christophe Valot, Hervé Palancher, and Olivier Boquet. "Stress Analysis in UMo-Al Fuel Using X-Ray Diffraction." Materials Science Forum 681 (March 2011): 420–25. http://dx.doi.org/10.4028/www.scientific.net/msf.681.420.

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UMo-Al specimens are analyzed using X-ray diffraction techniques. One specimen was partially irradiated using a heavy ion beam127I. Another specimen was thermally annealed 2h at 400°C. Those treatments result in the formation of an interaction layer between UMo particles and Al matrix. UMo, Al and UAl3phases are identified in the treated specimen using X-ray diffraction. Only aluminium phase exhibits a crystallographic fiber texture, the other phases having an isotropic crystallographic texture. X-ray stress analyses are performed. After irradiation, stress analyses show that UMo phase is in a compressive stress state whereas the stress level in the formed UAl3in the interaction layer is not that high.
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22

Aburaya, Kazuaki, Chiaki Tsuboi, Fumiko Kimura, Kenji Matsumoto, Masataka Maeyama, and Tsunehisa Kimura. "X-Ray Diffraction from Magnetically Oriented Microcrystal Suspension." Acta Crystallographica Section A Foundations and Advances 70, a1 (August 5, 2014): C1136. http://dx.doi.org/10.1107/s2053273314088639.

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A three dimensionally magnetically oriented microcrystal array (3D-MOMA) is attractive to determination of a crystal structure as well as a molecular structure because it does not require a single crystal with sufficient size and quality for diffraction studies. We have developed a novel method to fabricate 3D-MOMA and determined several crystal structures using the 3D-MOMAs[1],[2]. However, the structure determination through MOMA requires a solidification treatment with UV curable monomer prior to X-ray diffraction experiment. We have developed a new X-ray diffractometer equipped with a magnetic field generator, which makes it possible to collect diffraction data without the solidification treatment. In this poster, we describe X-ray diffraction analyses of a magnetically oriented microcrystal suspension (MOMS) of L-alanine without the solidification treatment. A suspension of L-alanine microcrystals was poured in a glass capillary and rotated at a constant speed in a magnetic circuit attached in the X-ray diffractometer. Then, diffraction images were collected every 60 seconds. In the initial phase, the diffraction pattern showed a broad shape similar to that from a powder sample. As time goes on, diffraction patterns have gradually changed to single-crystal like patterns. After 2 hours, the shape of diffraction spots became as sharp as that of a single crystal. This observation shows that the microcrystals are oriented in the same direction. Owing to the improvement of the magnetic circuit and X-ray diffractometer, the quality of the diffraction has been greatly improved compared to that reported previously[3]. Further details of the analyses will be shown in the poster.
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23

Fawcett, T. G., S. N. Kabekkodu, J. R. Blanton, and T. N. Blanton. "Chemical analysis by diffraction: the Powder Diffraction File™." Powder Diffraction 32, no. 2 (June 2017): 63–71. http://dx.doi.org/10.1017/s0885715617000288.

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As we celebrate the 75th anniversary of the Powder Diffraction File, the PDF® is still a method for chemical and material analyses. The database and embedded software are designed to solve a range of solid-state material analysis problems that includes phase identification, quantitative analysis, crystallinity, and crystallite size measurements. A versatile platform allows users to interpret X-ray, electron, neutron, or synchrotron diffraction patterns for their analyses. Over several decades as diffraction hardware and software continued to improve, the International Centre for Diffraction Data continues to improve the methods and the PDF database, offering unprecedented analysis capabilities to the modern user.
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24

Fawcett, T. G., J. Faber, F. Needham, S. N. Kabekkodu, C. R. Hubbard, and J. A. Kaduk. "Developments in formulation analyses by powder diffraction analysis." Powder Diffraction 21, no. 2 (June 2006): 105–10. http://dx.doi.org/10.1154/1.2204958.

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Developments in X-ray analysis hardware and software have combined to dramatically improve the throughput, speed, and accuracy of formulation analyses. We will focus on a complimentary development, the growth and application of a comprehensive database based on the Powder Diffraction File™ (PDF®). The PDF is an edited and standardized combination of several crystallographic databases with ∼497 000 published entries. The comprehensive nature of this database, combined with phase identification and digital pattern simulations, was used to identify complex formulations with crystalline and noncrystalline ingredients. We will show how these parallel developments enhance the ability to correctly identify complex formularies.
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25

Nakashima, Kiichi, and Kouta Tateno. "X-ray diffraction analysis of GaInNAs double-quantum-well structures." Journal of Applied Crystallography 37, no. 1 (January 17, 2004): 14–23. http://dx.doi.org/10.1107/s0021889803022775.

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The structures of GaInNAs/GaAs double-quantum-well (DQW) samples with various well-layer thicknesses were analysed by X-ray diffraction measurements. Two types of rocking-curve analysis were applied with different scanning configurations: a conventional configuration without a receiving slit and one with an analyser crystal placed in front of the receiving detector (the latter is the same as that usually used in reciprocal-space mapping measurements). It was found that systematic combination of both types of analysis is essential for the characterization of the sample structures. The two types of X-ray profiles obtained using the different scanning configurations exhibit a considerable difference in intensity as the thickness of the well layers increases. The increasing difference clearly indicates deterioration of the DQW structures. The two profiles exhibit little difference in terms of shape, merely showing that the DQW layers are coherently strained relative to the substrate. This implies that measurement in only one of the configurations is insensitive to the deterioration and leads to the wrong conclusion that a sample has a perfect structure without dislocations and defects. Photoluminescence and transmission electron microscope analyses both reveal that defects really do exist in the DQW structures, which is consistent with the difference in intensity observed in the X-ray measurements. From these results, a clear picture that consistently explains the sensitivity of X-ray diffraction analysis to the deterioration of samples is presented. In addition, based on this picture, it is proposed that the procedure of comparing the two types of profiles represents a new type of analysis method for the precise characterization of samples.
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26

Zeng, Wei Jin, Chao Zeng, and Wei He. "Quantitative Phase Analyses of a Slag Using X-Ray Powder Diffraction." Advanced Materials Research 881-883 (January 2014): 1241–44. http://dx.doi.org/10.4028/www.scientific.net/amr.881-883.1241.

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The quantitative phase analyses of a slag have been successfully carried out by using both of the full-profile Rietveld and RIR methods from X-ray powder diffraction data. The qualitative phase analysis indicates that the slag contains mayenite (CaO)12(Al2O3)7, olivine Ca2(SiO4), gehlenite Ca2Al (AlSiO7), lemite Ca2(SiO4) and hibonite CaO(Al2O3)6. The quantitative analysis from Rietveld refinement shows that the weight concentrations of mayenite, olivine, gehlenite, lemite and hibonite for the slag are 48.8(4) wt.%, 32.2(5) wt.%, 11.0(9) wt.%, 6.2(1.1) wt.% and 1.8 (1.2) wt.%, respectively. The quantitative phase analysis results obtained by Rietveld method are more precise then those by RIR method.
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27

Cong, Q. "Phase analysis of bulk samples using sample-tilting X-ray diffractometry." Journal of Applied Crystallography 25, no. 5 (October 1, 1992): 582–88. http://dx.doi.org/10.1107/s0021889892004412.

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In the Bragg–Brentano X-ray powder diffractometer, the sample-tilting X-ray diffraction (STD) technique probes a fixed depth of penetration from the sample surface. In this way, phase analysis can be carried out from the surface layers to the depth probed by the CBD (conventional Bragg–Brentano geometry X-ray diffraction) method. In the present paper, after derivation of the diffracted intensity and the observed crystal-plane azimuthal equations, attention is focused on investigations of the geometrical optics of X-ray surface reflection by comparing the STD and CBD methods. Some examples are given to illustrate the applications of the STD technique for solving phase analyses and related problems.
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28

Ida, Takashi. "Powder X-Ray Structure Refinement Applying a Theory for Particle Statistics." Solid State Phenomena 203-204 (June 2013): 3–8. http://dx.doi.org/10.4028/www.scientific.net/ssp.203-204.3.

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A new method for analysis of powder diffraction intensity data recently developed by the author has been modified to include the effects of possible statistical errors in the goniometer angle 2Θ. The analytical method is based on the maximum-likelihood estimation. Structure parameters refined by the method for fluorapatite Ca5(PO4)3F, anglesite PbSO4and barite BaSO4 have become closer to those obtained by single-crystal structure analyses than the results obtained by applications of a conventional Rietveld refinement to the same powder diffraction data, similarly to the previous analyses, where the errors in 2Θ are not included. The statistical errors about 2Θ are estimated at Δ2Θ = 0.0030º, 0.00099º and 0.0036º from the powder diffraction data sets of fluoroapatite, anglesite and barite, respectively.
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29

Melnikov, Igor, Olof Svensson, Gleb Bourenkov, Gordon Leonard, and Alexander Popov. "The complex analysis of X-ray mesh scans for macromolecular crystallography." Acta Crystallographica Section D Structural Biology 74, no. 4 (April 1, 2018): 355–65. http://dx.doi.org/10.1107/s2059798318002735.

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In macromolecular crystallography, mesh (raster) scans are carried out either as part of X-ray-based crystal-centring routines or to identify positions on the sample holder from which diffraction images can be collected. Here, the methods used inMeshBest, software which automatically analyses diffraction images collected during a mesh scan and produces a two-dimensional crystal map showing estimates of the dimensions, centre positions and diffraction qualities of each crystal contained in the mesh area, are presented. Sample regions producing diffraction images resulting from the superposition of more than one crystal are also distinguished from regions with single-crystal diffraction. The applicability of the method is demonstrated using several cases.
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30

Sekiguchi, Yuki, Masaki Yamamoto, Tomotaka Oroguchi, Yuki Takayama, Shigeyuki Suzuki, and Masayoshi Nakasako. "IDATENandG-SITENNO: GUI-assisted software for coherent X-ray diffraction imaging experiments and data analyses at SACLA." Journal of Synchrotron Radiation 21, no. 6 (October 3, 2014): 1378–83. http://dx.doi.org/10.1107/s1600577514017111.

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Using our custom-made diffraction apparatus KOTOBUKI-1 and two multiport CCD detectors, cryogenic coherent X-ray diffraction imaging experiments have been undertaken at the SPring-8 Angstrom Compact free electron LAser (SACLA) facility. To efficiently perform experiments and data processing, two software suites with user-friendly graphical user interfaces have been developed. The first is a program suite namedIDATEN, which was developed to easily conduct four procedures during experiments: aligning KOTOBUKI-1, loading a flash-cooled sample into the cryogenic goniometer stage inside the vacuum chamber of KOTOBUKI-1, adjusting the sample position with respect to the X-ray beam using a pair of telescopes, and collecting diffraction data by raster scanning the sample with X-ray pulses. NamedG-SITENNO, the other suite is an automated version of the originalSITENNOsuite, which was designed for processing diffraction data. These user-friendly software suites are now indispensable for collecting a large number of diffraction patterns and for processing the diffraction patterns immediately after collecting data within a limited beam time.
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31

Huang, T. C., A. Segmuller, W. Lee, V. Lee, D. Bullock, and R. Karimi. "X-ray Diffraction Analysis of High Tc Superconducting Thin Films." Advances in X-ray Analysis 32 (1988): 269–78. http://dx.doi.org/10.1154/s0376030800020577.

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AbstractX-ray diffraction techniques have been used for the structure characterization of Y-Ba-Cu-O and Tl-Ca-Ba-Cu-O thin films. A powder diffraction analysis of Y-Ba-Cu-O films showed that the films deposited at 650°C on Si are polycrystalline and have an orthorhambic structure similar to that of the YBa2Cu3O7 bulk superconductors. In addition to the conventional powder diffraction technique, both the rocking curve and the grazing incidence diffraction methods were used to characterize a YBa2Cu3O7 film on (110) SrTiO3 substrate. Results showed that the film was epitaxially grown and aligned with its substrate in a true epitaxy. Phase identification and line broadening analyses of Tl-Ca-Ba-Cu-O films showed that the films are comprised of one or more superconducting phases and probably contain stacking faults.
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32

Knob, B., J. Waňková, F. Moudrý, and M. Kuba. "X-Ray Diffraction Analysis of NPK 12-19-19 Fertilizers." Powder Diffraction 1, no. 2 (June 1986): 40–44. http://dx.doi.org/10.1017/s0885715600011568.

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AbstractA quantitative X-ray diffraction method for the phase analysis of fertilizers of the NPK 12-19-19 type has been worked out together with a complex system of computer software. A bank of synthetic standards was employed in the solution of the problem. To reflect the real structure of the phases determined in fertilizers as against the structure of synthetic standards, intensity coefficients based on chemical analyses were assigned to individual phases in the bank of standards.
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33

HORIUCHI, Hiroyuki, and Masahiko TANAKA. "Crystallographic Analyses of Mineral Textures by Micro-area X-ray Diffraction." Journal of the Mineralogical Society of Japan 21, no. 2 (1992): 47–57. http://dx.doi.org/10.2465/gkk1952.21.47.

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34

Barakat, Assem, Hany Al-Najjar, Abdullah Al-Majid, Syed Adil, Mohamed Ali, Vijay Masand, Hazem Ghabbour, and Hoong-Kun Fun. "Synthesis, X-ray Diffraction, Thermogravimetric and DFT Analyses of Pyrimidine Derivatives." Molecules 19, no. 11 (October 24, 2014): 17187–201. http://dx.doi.org/10.3390/molecules191117187.

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35

NISHINO, Takashi. "X-ray Diffraction Analyses on Stress Transfer Through Polymer Composites Interface." Journal of The Adhesion Society of Japan 48, no. 2 (2012): 48–57. http://dx.doi.org/10.11618/adhesion.48.48.

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36

Fawcett, T. G., S. Gates-Rector, A. M. Gindhart, M. Rost, S. N. Kabekkodu, J. R. Blanton, and T. N. Blanton. "A practical guide to pharmaceutical analyses using X-ray powder diffraction." Powder Diffraction 34, no. 2 (April 15, 2019): 164–83. http://dx.doi.org/10.1017/s088571561900023x.

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Advances in instrumentation, software applications, and database content have all contributed to improvements in pharmaceutical analyses by powder diffraction methods in the 21stcentury. When compared to the globally harmonized United States Pharmacopeia General Chapter <941>, “Characterization of Crystalline and Partially Crystalline Solids by X-ray Powder Diffraction”, many historic problems in pharmaceutical analysis have been addressed by combinations of improved methods and instrumentation. Major changes in the last 20 years include (i) a dramatic lowering in detection capability and detection limits, (ii) enhanced capabilities for dynamic measurements such asin situanalyses under a variety of conditions, and (iii) the ability to identify and characterize nanomaterials, non-crystalline, and amorphous materials by both coherent and incoherent scattering profiles.
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Muyasaroh, A. F., C. Latif, S. Lapboonruang, A. Firdausi, D. Mardiana, and S. Pratapa. "X-ray Diffraction (XRD) and X-ray Absorption Near Edge Spectroscopy (XANES) Analyses of LiFe1-xCuxPO4 Powders." IOP Conference Series: Materials Science and Engineering 515 (April 17, 2019): 012009. http://dx.doi.org/10.1088/1757-899x/515/1/012009.

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38

YOSHIASA, Akira. "Structure and Lattice Vibration Analyses under High Pressure using X-ray Diffraction and X-ray Absorption Techniques." REVIEW OF HIGH PRESSURE SCIENCE AND TECHNOLOGY 10, no. 3 (2000): 228–34. http://dx.doi.org/10.4131/jshpreview.10.228.

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39

Chung, Frank H. "Unified Theory for Decoding the Signals from X-Ray Florescence and X-Ray Diffraction of Mixtures." Applied Spectroscopy 71, no. 5 (August 23, 2016): 1060–68. http://dx.doi.org/10.1177/0003702816664105.

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For research and development or for solving technical problems, we often need to know the chemical composition of an unknown mixture, which is coded and stored in the signals of its X-ray fluorescence (XRF) and X-ray diffraction (XRD). X-ray fluorescence gives chemical elements, whereas XRD gives chemical compounds. The major problem in XRF and XRD analyses is the complex matrix effect. The conventional technique to deal with the matrix effect is to construct empirical calibration lines with standards for each element or compound sought, which is tedious and time-consuming. A unified theory of quantitative XRF analysis is presented here. The idea is to cancel the matrix effect mathematically. It turns out that the decoding equation for quantitative XRF analysis is identical to that for quantitative XRD analysis although the physics of XRD and XRF are fundamentally different. The XRD work has been published and practiced worldwide. The unified theory derives a new intensity–concentration equation of XRF, which is free from the matrix effect and valid for a wide range of concentrations. The linear decoding equation establishes a constant slope for each element sought, hence eliminating the work on calibration lines. The simple linear decoding equation has been verified by 18 experiments.
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40

Kevorkov, D., and R. Schmid-Fetzer. "The Al–Ca System, Part 1: Experimental Investigation of Phase Equilibria and Crystal Structures." International Journal of Materials Research 92, no. 8 (August 1, 2001): 946–52. http://dx.doi.org/10.1515/ijmr-2001-0172.

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Abstract The binary aluminum-calcium phase equilibria were investigated using X-ray diffraction methods, metallography, energy-dispersive X-ray and differential thermal analyses, and the diffusion couple technique. The complete phase diagram has been determined. Two new binary compounds AlCa and Al3Ca8 were found in addition to the established Al4Ca and Al2Ca phases. The crystal structure of Al3Ca8 compound was determined by X-ray powder diffraction methods.
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Wang, Zhen-Wen, and Guo-Yu Yang. "A {Co9}-Added Polyoxometalate for Efficient Visible-Light-Driven Hydrogen Evolution." Molecules 28, no. 2 (January 9, 2023): 664. http://dx.doi.org/10.3390/molecules28020664.

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A polyanion cluster H6Na8Cs3[Co9(μ3-OH)3(H2O)6(HPO4)2(B-α-PW9O34)3]Cl·40H2O (1) was made with the guidance of the lacunary directing strategy under hydrothermal conditions. Compound 1 was characterized by single-crystal X-ray diffraction, powder X-ray diffraction, and thermogravimetric analysis, respectively. Single-crystal X-ray diffraction analyses showed that 1 consists of three anions [B-α-PW9O34]9− and a cyclic cationic [Co9(μ3-OH)3(H2O)6]15+ and two anions HPO42−. Variable-magnetic properties indicate antiferromagnetic interactions in 1. Visible-light-driven hydrogen evolution tests demonstrated that 1 was an efficient water reduction catalyst with an H2 evolution rate of 1217.6 μmol h−1 g−1.
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Kimura, Hidehiko, Daigo Setoyama, Satoshi Yamaguchi, Yoshiharu Hirose, Yuka Kojima, and Minoru Takahara. "OS3-4 Depth-resolved Strain Distribution Measurement by Synchrotron X-ray 2-dimensional Diffraction(Stress/strain evaluation,OS3 Stress/strain analyses by diffraction method,MEASUREMENT METHODS)." Abstracts of ATEM : International Conference on Advanced Technology in Experimental Mechanics : Asian Conference on Experimental Mechanics 2015.14 (2015): 38. http://dx.doi.org/10.1299/jsmeatem.2015.14.38.

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43

Deon, Fiorenza, Frank van Ruitenbeek, Harald van der Werff, Mark van der Meijde, and Camilla Marcatelli. "Detection of Interlayered Illite/Smectite Clay Minerals with XRD, SEM Analyses and Reflectance Spectroscopy." Sensors 22, no. 9 (May 9, 2022): 3602. http://dx.doi.org/10.3390/s22093602.

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Accurate determination of clay minerals can be challenging due to the natural occurrence of interlayered phases, i.e., layers of different clay species such as illite and smectite. The overlap of peaks of the constituent minerals (e.g., illite and smectite), and the similarity of diffraction patterns when not treated with ethylene glycol, hampers identification, especially when the clay content is low. We investigated the occurrence of interlayered illite/smectite in a rock sample from Rodalquilar, Spain, using X-ray diffraction, scanning electron microscopy and reflectance spectroscopy in the short-wave infrared wavelength range. For the first time, a precise determination of interlayered I/S conducted on the extracted clay fraction treated with ethylene glycol using such different approaches was provided. X-ray diffraction results demonstrated the presence of an I/S peak at around 8.4° in the untreated fraction coupled with a peak splitting at 6.7° and 9.4° 2θ when solvated with ethylene glycol. While spectroscopy indicated the occurrence of interlayered structures as a mixture of the two constituent minerals, the results of X-ray analysis showed that the interlayered clay consisted of two discrete phases (illite and smectite). The two discrete phases were observed in both the whole rock analysis and in the extracted clay fraction. This study shows that X-ray diffraction and validation with a scanning electron microscope is a mandatory, integrating tool for detecting interlayered phases since reflectance spectroscopy alone cannot be used to differentiate between interlayered clay minerals and non-interlayered mixtures. This work highlights the limits and advantages of three sensors (X-ray diffraction, scanning electron microscopy and reflectance spectroscopy) to investigate clay mixtures and interlayering, representing a significant contribution to confidence in the interpretation of interlayered clays, this being essential in mineral exploration and prospecting.
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Collins, Leo W., and David L. Wertz. "Mass Absorption Corrected X-ray Diffraction Analysis of Entrained-Flow Reactor Coal Combustion Products." Advances in X-ray Analysis 34 (1990): 429–35. http://dx.doi.org/10.1154/s0376030800014749.

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AbstractThe analysis of coal and the understanding of the combustion process is complex, due to the heterogeneous nature of the material and the myriad of high-temperature reactions inherent in this fossil fuel. The research presented below utilizes recently-developed x-ray diffraction methods to analyze the coal combustion products generated from a laboratory-scale entrained-flow reactor. The reactor was designed, constructed, and tested, as planned for the initial phase of a long-term project to evaluate the coals located in Mississippi. In this initial phase a well-characterized coal was used, supplied by The Pennsylvania State University. The proximate, ultimate, and sulfur analyses of the coal, PSOC 1368p, are outlined in the Appendix. X-ray diffraction techniques have been used In the past to characterize coals. An analysis of the mineral transformation during coal combustion has also been performed using x-ray diffraction instrumentation. The semi-quantitative results of the pyrite (FeS2) phase transformation at variable temperatures and the percent combustion of the coal, as determined by x-ray methods are reported below.
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Christensen, Axel Nørlund, Bente Lebech, Denis Sheptyakov, and Jonathan C. Hanson. "Structure of calcium aluminate decahydrate (CaAl2O4·10D2O) from neutron and X-ray powder diffraction data." Acta Crystallographica Section B Structural Science 63, no. 6 (November 9, 2007): 850–61. http://dx.doi.org/10.1107/s0108768107035136.

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Calcium aluminate decahydrate is hexagonal with the space group P63/m and Z = 6. The compound has been named CaAl2O4·10H2O (CAH10) for decades and is known as the product obtained by hydration of CaAl2O4 (CA) in the temperature region 273–288 K – one of the main components in high-alumina cements. The lattice constants depend on the water content. Several sample preparations were used in this investigation: one CAH10, three CAD10 and one CA(D/H)10, where the latter is a zero-matrix sample showing no coherent scattering contribution from the D/H atoms in a neutron diffraction powder pattern. The crystal structure including the positions of the H/D atoms was determined from analyses of four neutron diffraction powder patterns by means of the ab initio crystal structure determination program FOX and the FULLPROF crystal structure refinement program. Additionally, eight X-ray powder diffraction patterns (Cu Kα1 and synchrotron X-rays) were used to establish phase purity. The analyses of these combined neutron and X-ray diffraction data clearly show that the previously published positions of the O atoms in the water molecules are in error. Thermogravimetric analysis of the CAD10 sample preparation used for the neutron diffraction studies gave the composition CaAl2(OD)8(D2O)2·2.42D2O. Neutron and X-ray powder diffraction data gave the structural formula CaAl2(OX)8(X 2O)2·γX 2O (X = D, H and D/H), where the γ values are sample dependent and lie between 2.3 and 3.3.
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Cui, Lian-sheng, Xiang-min Meng, Yong-gang Li, Ke-rui Huang, Yuan-cheng Li, Jin-qiao Long, and Peng-fei Yao. "Syntheses, structural diversity, and photocatalytic-degradation properties for methylene blue of Co(ii) and Ni(ii) MOFs based on terephthalic acid and different imidazole bridging ligands." CrystEngComm 21, no. 25 (2019): 3798–809. http://dx.doi.org/10.1039/c9ce00433e.

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47

Wang, Xiaoming, Mengqiang Zhu, Luuk K. Koopal, Wei Li, Wenqian Xu, Fan Liu, Jing Zhang, Qingsong Liu, Xionghan Feng, and Donald L. Sparks. "Effects of crystallite size on the structure and magnetism of ferrihydrite." Environmental Science: Nano 3, no. 1 (2016): 190–202. http://dx.doi.org/10.1039/c5en00191a.

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The structure and magnetic properties of nano-sized (1.6 to 4.4 nm) ferrihydrite samples are systematically investigated through a combination of X-ray diffraction (XRD), X-ray pair distribution function (PDF), X-ray absorption spectroscopy (XAS) and magnetic analyses.
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48

Chen, H., and B. L. Davis. "Quantitative X-ray Diffraction Analysis of Smectites: I – Mass Attenuation Calculations for Smectite Analyses." Advances in X-ray Analysis 38 (1994): 83–90. http://dx.doi.org/10.1154/s0376030800017675.

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In smectite analyses, the investigation of the attenuation contribution to quantitative x-ray diffraction (XRD) analysis is a most important topic, including Fe content and distribution. This is the first part of a comprehensive study on smectite analysis addressing the nature and location of Fe atoms within the octahedral sites, interlayer regions, and intergranular interfaces. This first paper treats the mass attenuation measurements and calculations (Davis and Johnson, 1987). Additional reports will be made in the future on Fe studies involving measured and calculated reference intensity ratio measurements and structural studies based on SEM and TEM analysis.
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49

Schuster, M., A. Lessmann, A. Munkholm, S. Brennan, G. Materliks, and H. Riechert. "High-resolution X-ray diffraction and X-ray standing wave analyses of (AlAs)m(GaAs)nshort-period superlattices." Journal of Physics D: Applied Physics 28, no. 4A (April 14, 1995): A206—A211. http://dx.doi.org/10.1088/0022-3727/28/4a/040.

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50

Veligzhanin, A. A., D. A. Petrochenkov, E. V. Khramov, D. I. Frey, and A. A. Chernyshov. "Synchrotron X-ray diffraction and small-angle X-ray scattering analyses of the nacre of the Nautilus shell." Journal of Surface Investigation. X-ray, Synchrotron and Neutron Techniques 10, no. 1 (January 2016): 198–204. http://dx.doi.org/10.1134/s1027451016010353.

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