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Journal articles on the topic 'Single crystal X-ray diffraction'

Author: Grafiati

Published: 4 June 2021

Last updated: 25 July 2025

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1

Gurzhiy, Vladislav V. "Single-Crystal X-Ray Diffraction." AM&P Technical Articles 178, no. 1 (2020): 32–34. http://dx.doi.org/10.31399/asm.amp.2020-01.p032.

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2

Shu, Jinfu, Ho-kwang Mao, Jingzhu Hu, Yingwei Fei, and Russell J. Hemley. "Single-Crystal X-ray Diffraction of Wüstite to 30GPa Hydrostatic Pressure." Neues Jahrbuch für Mineralogie - Abhandlungen 172, no. 2-3 (1998): 309–23. http://dx.doi.org/10.1127/njma/172/1998/309.

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3

Ohfuji, Hiroaki, David Rickard, Mark E. Light, and Michael B. Hursthouse. "Structure of framboidal pyrite: a single crystal X-ray diffraction study." European Journal of Mineralogy 18, no. 1 (2006): 93–98. http://dx.doi.org/10.1127/0935-1221/2006/0018-0093.

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4

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 (2007): 17–25. http://dx.doi.org/10.1107/s0108768106039462.

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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 subsy

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5

Chang, W. Z., and D. B. Wittry. "X-ray diffraction properties of curved crystal diffractors." Proceedings, annual meeting, Electron Microscopy Society of America 50, no. 2 (1992): 1734–35. http://dx.doi.org/10.1017/s0424820100133308.

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Since Du Mond and Kirkpatrick first discussed the principle of a bent crystal spectrograph in 1930, curved single crystals have been widely utilized as spectrometric monochromators as well as diffractors for focusing x rays diverging from a point. Curved crystal diffraction theory predicts that the diffraction parameters - the rocking curve width w, and the peak reflection coefficient r of curved crystals will certainly deviate from those of their flat form. Due to a lack of curved crystal parameter data in current literature and the need for optimizing the choice of diffraction geometry and c

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6

Kimura, Fumiko, Wataru Oshima, Hiroko Matsumoto, et al. "Magnetically Oriented Powder Crystal to Indexing and Structure Determination." Acta Crystallographica Section A Foundations and Advances 70, a1 (2014): C1560. http://dx.doi.org/10.1107/s2053273314084393.

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In pharmaceutical sciences, the crystal structure is of primary importance because it influences drug efficacy. Due to difficulties of growing a large single crystal suitable for the single crystal X-ray diffraction analysis, powder diffraction method is widely used. In powder method, two-dimensional diffraction information is projected onto one dimension, which impairs the accuracy of the resulting crystal structure. To overcome this problem, we recently proposed a novel method of fabricating a magnetically oriented microcrystal array (MOMA), a composite in which microcrystals are aligned thr

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7

Abdullah, Aziz Muhemed. "Structural Study of SrTiO3 Single Crystal using High Resolution X-ray Diffraction." Journal of Zankoy Sulaimani - Part A 15, no. 4 (2013): 91–96. http://dx.doi.org/10.17656/jzs.10278.

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8

Abdullah, Aziz M., and Salah R. Saeed. "Miscut measuring of SrTiO3 single crystal using high resolution X-ray diffraction." Journal of Zankoy Sulaimani - Part A 17, no. 3 (2015): 33–40. http://dx.doi.org/10.17656/jzs.10398.

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9

Weigel, Tina, Claudia Funke, Matthias Zschornak, et al. "X-ray diffraction using focused-ion-beam-prepared single crystals." Journal of Applied Crystallography 53, no. 3 (2020): 614–22. http://dx.doi.org/10.1107/s1600576720003143.

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High-quality single-crystal X-ray diffraction measurements are a prerequisite for obtaining precise and reliable structure data and electron densities. The single crystal should therefore fulfill several conditions, of which a regular defined shape is of particularly high importance for compounds consisting of heavy elements with high X-ray absorption coefficients. The absorption of X-rays passing through a 50 µm-thick LiNbO3 crystal can reduce the transmission of Mo Kα radiation by several tens of percent, which makes an absorption correction of the reflection intensities necessary. In order

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10

K.Manimekalai, *1 R.Rajasekaran 2. "GROWTH AND CHARACTERISATION OF SACROSINE DOPED POTTASSIUM DIHDROGEN PHOSPHATE CRYSTALS." INTERNATIONAL JOURNAL OF ENGINEERING SCIENCES & RESEARCH TECHNOLOGY 7, no. 1 (2018): 383–92. https://doi.org/10.5281/zenodo.1147558.

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Potassium dihydrogen  phosphate is a material rich in NLO property with wide range of industrial applications. Certain Amino acids are also rich in NLO properties so they are used as dopants. In the present work Sacrosine one of the twenty amino acid is added in the ratio 1:1 molar percentage to KDP. Single crystals were grown by slow evaporation method. The grown crystals were characterized by powder X-ray diffraction, Single crystal X-Ray diffraction, UV–vis. -spectroscopy, Fourier transform infrared spectroscopy (FTIR), SHG efficiency, Dielectric and Micro hardness studies. The s

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11

Soltis, S., Aina Cohen, Henrik Lemke, et al. "Automated grid-based XFEL diffraction studies of single macromolecular crystals." Acta Crystallographica Section A Foundations and Advances 70, a1 (2014): C572. http://dx.doi.org/10.1107/s2053273314094273.

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A major challenge of structural investigations of metalloproteins at synchrotrons is the damaging effects of radiation exposure. Even small X-ray doses can reduce or initiate reactions at metal centers modifying the active site. For example, in-situ visible absorption spectroscopy measurements have demonstrated that the heme/copper active site in oxidized ba3 cytochrome oxidase (ba3) is compromised during a single X-ray diffraction exposure. The use of ultrashort X-ray pulses at LCLS provides a means to measure high resolution diffraction before these damage processes occur. To this end, exper

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12

Li, Luxi, Yingying Xie, Evan Maxey, and Ross Harder. "Methods for operando coherent X-ray diffraction of battery materials at the Advanced Photon Source." Journal of Synchrotron Radiation 26, no. 1 (2019): 220–29. http://dx.doi.org/10.1107/s1600577518016697.

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Bragg coherent X-ray diffraction imaging has become valuable for visualization of the structural, morphological and strain evolution of crystals in operando electrode materials. As the electrode material particles (either in a single-crystal form or an aggregation form of single crystals) are evenly dispersed and randomly oriented in the electrode laminate, the submicrometer-sized coherentX-ray beam can be used to probe the local properties of electrode material crystals using two approaches. Coherent multi-crystal diffraction provides collective structural information of phase transitions in

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13

Zou, Xiaodong, and Sven Hovmöller. "Electron crystallography: imaging and single-crystal diffraction from powders." Acta Crystallographica Section A Foundations of Crystallography 64, no. 1 (2007): 149–60. http://dx.doi.org/10.1107/s0108767307060084.

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The study of crystals at atomic level by electrons – electron crystallography – is an important complement to X-ray crystallography. There are two main advantages of structure determinations by electron crystallography compared to X-ray diffraction: (i) crystals millions of times smaller than those needed for X-ray diffraction can be studied and (ii) the phases of the crystallographic structure factors, which are lost in X-ray diffraction, are present in transmission-electron-microscopy (TEM) images. In this paper, some recent developments of electron crystallography and its applications, main

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Natarajan, Karthikeyan, Sathya Duraisamy, and Sivakumar Kandasamy. "Ab initio and DFT study on Cu (II) complex salicylate derivative." Acta Crystallographica Section A Foundations and Advances 70, a1 (2014): C1442. http://dx.doi.org/10.1107/s205327331408557x.

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X -ray diffraction becomes a routine process these decades for determining crystal structure of the materials. Most of the crystal structures solved nowadays is based on single crystal X-ray diffraction because it solves the crystal and molecular structures from small molecules to macro molecules without much human intervention. However it is difficult to grow single crystals of sufficient size and quality for conventional single-crystal X-ray diffraction studies. In such cases it becomes essential that structural information can be determined from powder diffraction data. With the recent deve

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15

D. S., Christy, Sahaya Shajan X., and Mahadevan C. K. "Study of Physico-Chemical Properties and Growth Dimension Augmentation of Barium Succinate Single Crystals Grown by Slow Evaporation Technique." Journal of Physical Science 33, no. 1 (2022): 29–49. http://dx.doi.org/10.21315/jps2022.33.1.3.

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Slow evaporation method was adopted to grow barium succinate (BS) single crystals for the first time and diamond shape crystals were successfully synthesised with dimension 14 mm3 × 17 mm3 × 4 mm3. Single crystal x-ray diffraction studies show that the crystal system is monoclinic. Powder x-ray diffraction studies confirmed the crystallinity of the grown BS crystal. From energy dispersive x-ray spectroscopy (EDS) analysis the presence of barium metal was confirmed. The functional group of the BS crystal was confirmed from fourier transform infrared (FTIR) spectrum. The crystals were found to b

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16

Rani, Sefrilita Risqi Adikaning. "STUDI ANALISIS DATA DIFRAKSI SINAR-X PADA MATERIAL ZIRCON PASIR ALAM MELALUI METODE RIETVELD." JFT: Jurnal Fisika dan Terapannya 9, no. 1 (2022): 16–22. http://dx.doi.org/10.24252/jft.v9i1.25470.

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ZrSiO4 (zircon) material derived from natural sand has been successfully synthesized to produce single crystals. Structural analysis and phase change were studied by X-Ray diffraction. Rietveld analysis was carried out as a method of analyzing X-Ray Diffraction data. Zircon with a tetragonal crystal structure has been successfully synthesized to produce single crystals of ZrSiO4 with space group I41/amd. The results of the Rietveld analysis of single crystal ZrSiO4 samples with a tetragonal structure obtained lattice parameters a= 6.602727 (323) c= 5.978810 (317) with a crystal size distributi

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17

Moovendaran, K., and S. Natarajan. "Unidirectional growth and characterization of L-tartaric acid single crystals." Journal of Applied Crystallography 46, no. 4 (2013): 993–98. http://dx.doi.org/10.1107/s0021889813011680.

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Single crystals of L-tartaric acid (LTA), an organic nonlinear optical material, have been grown using a home-built crystal growth setup (the Moovendaran–Kalyanasundar–Natarajan setup). Crystals of LTA were also grown by the slow evaporation solution technique. These single crystals were characterized using single-crystal X-ray diffraction, high-resolution X-ray diffraction, and IR and UV–Vis–NIR spectroscopy. In addition, measurements of Vickers microhardness, laser damage threshold value and second harmonic generation efficiency are reported. Thermal, dielectric and photoluminescence studies

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18

Ma, Tianqiong, Eugene A. Kapustin, Shawn X. Yin, et al. "Single-crystal x-ray diffraction structures of covalent organic frameworks." Science 361, no. 6397 (2018): 48–52. http://dx.doi.org/10.1126/science.aat7679.

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The crystallization problem is an outstanding challenge in the chemistry of porous covalent organic frameworks (COFs). Their structural characterization has been limited to modeling and solutions based on powder x-ray or electron diffraction data. Single crystals of COFs amenable to x-ray diffraction characterization have not been reported. Here, we developed a general procedure to grow large single crystals of three-dimensional imine-based COFs (COF-300, hydrated form of COF-300, COF-303, LZU-79, and LZU-111). The high quality of the crystals allowed collection of single-crystal x-ray diffrac

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19

Fitriani, Lili, Wahyu Alfath Firdaus, Wahyu Sidadang, et al. "Improved Solubility and Dissolution Rate of Ketoprofen by the Formation of Multicomponent Crystals with Tromethamine." Crystals 12, no. 2 (2022): 275. http://dx.doi.org/10.3390/cryst12020275.

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This study aims to improve the dissolution rate of ketoprofen by preparing multicomponent crystals with tromethamine. The multicomponent crystals (equimolar ratio) of ketoprofen and tromethamine were prepared by the solvent co-evaporation method. The solid-state properties of the resulting powder were characterized by powder X-ray diffraction, DSC thermal analysis, FT–IR spectroscopy, solubility, and in vitro dissolution rate. The crystal structure of the multicomponent crystal was determined by single-crystal X-ray diffraction analysis. The results showed that the powder X-ray diffraction pat

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20

Schmetterer, Clemens, Divakar Rajamohan, Herta Silvia Effenberger, and Hans Flandorfer. "Ni2Sn2Zn from single-crystal X-ray diffraction." Acta Crystallographica Section C Crystal Structure Communications 68, no. 10 (2012): i65—i67. http://dx.doi.org/10.1107/s0108270112035627.

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Dinickel ditin zinc, Ni2Sn2Zn, crystallizes in the cubic space group Pm\overline{3}m, with a lattice parameter ofa= 8.845 (1) Å and with all atoms occupying special positions. The crystal structure exhibits pronounced similarities with that of the quaternary compound Ni5.20Sn8.7Zn4.16Cu1.04. It shares structural features with other compounds in the Ni–Sn–Zn system, such as Ni5Sn4Zn and Ni3Sn2.

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21

Cametti, Georgia, and Thomas Armbruster. "Chiavennite revisited: a high-temperature in situ single-crystal X-ray diffraction study." European Journal of Mineralogy 27, no. 5 (2015): 659–67. http://dx.doi.org/10.1127/ejm/2015/0027-2470.

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22

Merli, Marcello, Fernando Cámara, Chiara Domeneghetti, and Vittorio Tazzoli. "Leverage analysis of X-ray single crystal diffraction data from orthopyroxene and pigeonite." European Journal of Mineralogy 14, no. 4 (2002): 773–83. http://dx.doi.org/10.1127/0935-1221/2002/0014-0773.

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23

Wierman, Jennifer L., Ti-Yen Lan, Mark W. Tate, Hugh T. Philipp, Veit Elser, and Sol M. Gruner. "Protein crystal structure from non-oriented, single-axis sparse X-ray data." IUCrJ 3, no. 1 (2016): 43–50. http://dx.doi.org/10.1107/s2052252515018795.

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X-ray free-electron lasers (XFELs) have inspired the development of serial femtosecond crystallography (SFX) as a method to solve the structure of proteins. SFX datasets are collected from a sequence of protein microcrystals injected across ultrashort X-ray pulses. The idea behind SFX is that diffraction from the intense, ultrashort X-ray pulses leaves the crystal before the crystal is obliterated by the effects of the X-ray pulse. The success of SFX at XFELs has catalyzed interest in analogous experiments at synchrotron-radiation (SR) sources, where data are collected from many small crystals

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24

I.L. Shul’pina, E.V. Suvorov, I.A. Smirnova, and T.S. Argunova. "Section methods of X-Ray diffraction topography." Technical Physics 92, no. 10 (2022): 1277. http://dx.doi.org/10.21883/tp.2022.10.54354.23-22.

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X-ray topography is a group of methods for obtaining diffraction images of structural defects in crystals. Among them, section topography techniques are distinguished by their abilities in acquiring quantitative information about defects based on the analysis of the images. For this purpose, special applications of the dynamic theory of X-ray diffraction are being developed. The interference of wave fields excited in a crystal by an X-ray beam is the basis of the section methods. Their sensitivity to weak lattice distortions is much higher than that of other X-ray methods. This review describe

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25

Punitha, P., and S. Senthilkumar. "CRYSTAL DEVELOPMENT, THERMAL AND CRYSTALLINE PERFECTION OF POTASSIUM MAGNESIUM COBALT SULFATE HEXAHYDRATE MIXED CRYSTALS." Rasayan Journal of Chemistry 14, no. 04 (2021): 2810–19. http://dx.doi.org/10.31788/rjc.2021.1446571.

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Potassium magnesium cobalt sulfate hexahydrate (KMCS) was synthesized and single crystals were obtained with a slow evaporation solution growth technique (SESGT). KMCS empirical formula is K2Mg0.26Co0.74(SO4)26H2O with the weight of equation 428.34. KMCS crystal exposed monoclinic space groupP21/c, a = 6.1457, b = 12.2208, c = 9.0677, a = g = 90 °, b = 105 °, V = 657.87, Z = 2, 2.162 Mg m-3, in pink colour.The rate of frequency reduction found in powder indicates the crystal stress resulting from the processing of grown crystals. Single crystals are performed with FT-IR and UV-vis spectral st

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26

Sreenivasan, R. S., N. Kanagathara, G. Ezhamani, N. G. Renganathan, and G. Anbalagan. "Effect of Metal Dopant on Ninhydrin—Organic Nonlinear Optical Single Crystals." Journal of Spectroscopy 2013 (2013): 1–5. http://dx.doi.org/10.1155/2013/386024.

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In the present work, metal (Cu2+)-substituted ninhydrin single crystals were grown by slow evaporation method. The grown crystals have been subjected to single crystal XRD, powder X-ray diffraction, FTIR, dielectric and SHG studies. Single crystal X-ray diffraction analysis reveals that the compound crystallizes in monoclinic system with noncentrosymmetric space group P21 with lattice parametersa=11.28 Å,b=5.98 Å,c=5.71 Å,α=90∘,β=98.57,γ=90∘, andV=381 (Å)3, which agrees very well with the reported value. The sharp and strong peaks in the powder X-ray diffraction pattern confirm the good crysta

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27

A., Jagadesan, Sivakumar N., and Arjunan S. "Growth, structure and spectroscopic studies of an organic optical material: 4-Aminopyridinium 4-nitrophenolate 4-nitrophenol single crystal." Journal of Indian Chemical Society Vol. 96, Jan 2019 (2019): 61–62. https://doi.org/10.5281/zenodo.5652797.

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Department of Physics, RMK Engineering College, Kavarapettai, Chennai-601 206, India <em>E-mail</em>: arjunan_hce@yahoo.co.in Crystal Growth Centre, Anna University, Chennai-600 025, India <em>Manuscript received online 25 August 2018, accepted 09 October 2018</em> Organic nonlinear optical (NLO) crystals play an important role in optical device fabrication. The use of p-nitro phenol for the production of crystalline salt with aromatic base is of considerable interest for the nonlinear optical applications. Single crystals of 4-aminopyridinium 4-nitrophenolate 4-nitrophenol (4AP4NP) were grown

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28

Smirnova, Ekaterina S., Nikita I. Snegirev, Igor S. Lyubutin, et al. "Flux growth, structure refinement and Mössbauer studies of Fe1– x Ga x BO3 single crystals." Acta Crystallographica Section B Structural Science, Crystal Engineering and Materials 76, no. 6 (2020): 1100–1108. http://dx.doi.org/10.1107/s2052520620014171.

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High-quality Fe1–x Ga x BO3 single crystals (0.0 ≤ x ≤ 1.0) in the form of basal plates were synthesized by the flux technique. The exact content of Fe and Ga and homogeneity of their distribution in the crystal structure were determined by energy-dispersive X-ray spectroscopy. The crystal structure was refined using single-crystal X-ray diffraction data. The electronic and magnetic properties were studied using Mössbauer spectroscopy. It is shown that even a small content of diamagnetic gallium leads to a rearrangement of the crystal structure and essentially changes the magnetic hyperfine pa

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29

Ferrari, Claudio, and Dusan Korytar. "A monolithic monochromator–collimator for high-resolution X-ray diffraction." Journal of Applied Crystallography 34, no. 5 (2001): 608–12. http://dx.doi.org/10.1107/s0021889801010913.

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The possibility of finding, for a given X-ray wavelength, the conditions for obtaining multiple coplanar reflections in a single block of crystal is investigated. It is found that by introducing a small relative tilt between two parts of the crystal, the conditions for a high-resolution X-ray monochromator for conventional and synchrotron X-ray sources can be obtained. The design of a new high-resolution monochromator–collimator based on a single crystal, which takes advantage of the existence for almost any wavelength ofnandmplanes in the single crystal that lie near the Bragg condition, is p

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30

Pan, QingQing, Ping Guo, Jiong Duan, Qiang Cheng, and Hui Li. "Comparative crystal structure determination of griseofulvin: Powder X-ray diffraction versus single-crystal X-ray diffraction." Chinese Science Bulletin 57, no. 30 (2012): 3867–71. http://dx.doi.org/10.1007/s11434-012-5245-5.

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31

Bandemehr, Jascha, Matthias Conrad, and Florian Kraus. "Redetermination of the crystal structure of NbF4." Acta Crystallographica Section E Crystallographic Communications 72, no. 8 (2016): 1211–13. http://dx.doi.org/10.1107/s2056989016012081.

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Single crystals of NbF4, niobium(IV) tetrafluoride, were synthesized by disproportionation of Nb2F5at 1273 K in a sealed niobium tube, extracted and studied by single-crystal X-ray diffraction. Previous reports on the crystal structure of NbF4were based on X-ray powder diffraction data and the observed isotypicity to SnF4[Gortsema & Didchenko (1965).Inorg. Chem.4, 182–186; Schäferet al.(1965).J. Less Common Met.9, 95–104]. The data obtained from a single-crystal X-ray diffraction study meant the atomic coordinates could now be refined as well as their anisotropic displacement parameters, l

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32

Huang, X. R. "LauePt, a graphical-user-interface program for simulating and analyzing white-beam X-ray diffraction Laue patterns." Journal of Applied Crystallography 43, no. 4 (2010): 926–28. http://dx.doi.org/10.1107/s0021889810015013.

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LauePtis a robust and extremely easy-to-use Windows application for accurately simulating, indexing and analyzing white-beam X-ray diffraction Laue patterns of any crystals under arbitrary diffraction geometry. This program has a user-friendly graphic interface and can be conveniently used by nonspecialists with little X-ray diffraction or crystallography knowledge. Its wide range of applications include (1) determination of single-crystal orientation with the Laue method, (2) white-beam topography, (3) white-beam microdiffraction, (4) X-ray studies of twinning, domains and heterostructures, (

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33

Manimekalai, R., and S. Chidambaram. "Growth and Characterization of Adipic Acid Doped Potassium Hydrogen Phthalate: A Nonlinear Optical Single Crystal." Asian Journal of Chemistry 32, no. 1 (2019): 79–83. http://dx.doi.org/10.14233/ajchem.2020.22273.

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Adipic acid doped potassium hydrogen phthalate (AAKHP) and pure potassium hydrogen phthalate single crystals were grown by slow evaporation method. Single crystal X-ray diffraction analysis was carried out to determine the lattice parameters in a = 6.47 Å, b = 9.59 Å, c = 13.25 Å and space group of Pca21. This confirms the grown AAKHP belongs to the orthorhombic system. Various diffracting planes of the grown crystal were indexed using powder X-ray diffraction study. Fourier-transform infrared studies confirm the presence of various functional groups in the grown crystal. The transmittance spe

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34

Kurita, Masanori, Ikuo Ihara, and Nobuyuki Ono. "Residual Stress Measurement of Silicon Nitride and Silicon Carbide by X-Ray Diffraction Using Gaussian Curve Method." Advances in X-ray Analysis 32 (1988): 459–69. http://dx.doi.org/10.1154/s0376030800020784.

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The residual stress induced by grinding or some thermal treatment has a large effect on the strength of ceramics. The X-ray technique can be used to nondestructively measure the residual stress in small areas on the surface of polycrystalline materials. The X-ray stress measurement is based on. the continuum mechanics for macroscopically isotropic polycrystalline materials. In this method, the stress value is calculated selectively from strains of a particular diffraction plane in the grains which are favorably oriented for the diffraction. In general, however, the elastic constants of a singl

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35

Nikolaev, K. V., I. A. Makhotkin, S. N. Yakunin, R. W. E. van de Kruijs, M. A. Chuev, and F. Bijkerk. "Specular reflection intensity modulated by grazing-incidence diffraction in a wide angular range." Acta Crystallographica Section A Foundations and Advances 74, no. 5 (2018): 545–52. http://dx.doi.org/10.1107/s2053273318008963.

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Grazing-incidence X-ray diffraction (GID) is a well known technique for the characterization of crystal surfaces. A theoretical study has been performed of the sensitivity of GID to the structure of a crystal surface and distorted nanometre-thin surface layers. To simulate GID from crystals that have a complex subsurface structure, a matrix formalism of the dynamical diffraction theory has been applied. It has been found that the azimuthal rocking curves of a crystal that has a distorted subsurface, measured over a wide angular range, show asymmetric thickness oscillations with two distinguish

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36

Xu, Hongliang. "Structure determination from X-ray powder diffraction data at low resolution." Acta Crystallographica Section A Foundations and Advances 70, a1 (2014): C143. http://dx.doi.org/10.1107/s2053273314098568.

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Knowledge of the structural arrangement of atoms in solids is necessary to facilitate the study of their properties. The best and most detailed structural information is obtained when the diffraction pattern of a single crystal a few tenths of a millimeter in each dimension is analyzed, but growing high-quality crystals of this size is often difficult, sometimes impossible. However, many crystallization experiments that do not yield single crystals do yield showers of randomly oriented micro-crystals that can be exposed to X-rays simultaneously to produce a powder diffraction pattern. Direct M

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Ermrich, M., F. Hahn, and E. R. Wölfel. "Use of Imaging Plates in X-Ray Analysis." Textures and Microstructures 29, no. 1-2 (1997): 89–101. http://dx.doi.org/10.1155/tsm.29.89.

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Two-dimensional detectors have opened a new area for the investigation of both single crystals and polycrystalline materials. The working principle of Imaging Plates is described. Some characteristics and the advantages of an Imaging Plate are discussed using the STOE Imaging Plate Diffraction System for different kinds of X-ray analysis: (i) single crystal diffractometry, (ii) powder diffraction and (iii) stress and texture investigations.

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38

Black, David R. "Microstructural characterization using x-ray diffraction imaging." Proceedings, annual meeting, Electron Microscopy Society of America 51 (August 1, 1993): 504–5. http://dx.doi.org/10.1017/s0424820100148356.

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X-ray diffraction imaging, also known as x-ray topography, is a powerful tool to study the defect microstructure of single crystals. As the name implies, this technique is based on recording an image of the diffracted x-ray beam from a crystal. Contrast in the image results from point-to-point variation in the diffracted intensity through the crystal. An example of a diffraction image is shown in figure 1. That this image is in some way a topographic representation of the sample can be seen in the impression of differing elevations and textures in different parts of the image. However, since t

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Mohammed, Azeezaa Varsha, and Suresh Sagadevan. "Studies on the growth and characterization of L-cysteine hydrogen fluoride single crystal." Materials Science-Poland 37, no. 3 (2019): 304–9. http://dx.doi.org/10.2478/msp-2019-0046.

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AbstractL-cysteine hydrogen fluoride (LCHF) single crystals were grown from aqueous solution. Single crystal X-ray diffraction, FT-IR, UV-Vis-NIR, and TG-DTA were used to test the grown crystals. The specimen dielectric and mechanical behaviors were also studied. Powder X-ray diffraction of the grown crystal was recorded and indexed. The optical properties of the LCHF crystal were determined using UV-Vis spectroscopy. It was found that the optical band gap of LCHF was 4.8 eV. The crystal functional groups were identified using FT-IR. Second harmonic generation (SHG) efficiency of the LCHF was

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Etschmann, Barbara, and Nobuo Ishizawa. "A synchrotron X-ray diffraction study of a small congruent LiNbO3 crystal: A compatible approach to powder diffraction." Powder Diffraction 16, no. 2 (2001): 81–85. http://dx.doi.org/10.1154/1.1365124.

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Single-crystal synchrotron X-ray diffraction (XRD) data were collected and refined for congruent lithium niobate crystals 8 and 6 μm in diameter, sizes that are comparable to the size of the powder particles used in powder diffraction. The motivation for using such small crystals is to minimize problems such as extinction, which decrease with crystal size. The R/wR factors were 0.011/0.014 and 0.019/0.018, for the 8 and 6 μm data, respectively, and the goodness of fit factors were 2.3(1) and 1.63(8), which compare favorably with values obtained from previous powder and single-crystal diffracti

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Hovmöller, Sven, Xiaodong Zou, and Thomas Weirich. "Inorganic Crystal Structures Solved from EM Images and Refined to 0.02 À Accuracy Against Electron Diffraction Data." Microscopy and Microanalysis 3, S2 (1997): 1141–42. http://dx.doi.org/10.1017/s1431927600012599.

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Single crystal X-ray diffraction is the traditional method for accurate crystal structure determination. A major difficulty in X-ray crystallography is the phase problem; diffracted intensities contain amplitude information but no phases. In order to solve a structure, the phases of at least the strongest reflections must be estimated by Patterson techniques, so-called direct methods or in any other way. Once the structure has been solved (i.e. the atoms found to within about 0.2 Ångström of their correct positions), then refinement is rather straight-forward for single crystal data. Typically

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Huang, J. W., J. C. E, J. Y. Huang, T. Sun, K. Fezzaa, and S. N. Luo. "Dynamic crystal rotation resolved by high-speed synchrotron X-ray Laue diffraction." Journal of Synchrotron Radiation 23, no. 3 (2016): 712–17. http://dx.doi.org/10.1107/s160057751600223x.

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Dynamic compression experiments are performed on single-crystal Si under split Hopkinson pressure bar loading, together with simultaneous high-speed (250–350 ns resolution) synchrotron X-ray Laue diffraction and phase-contrast imaging. A methodology is presented which determines crystal rotation parameters,i.e.instantaneous rotation axes and angles, from two unindexed Laue diffraction spots. Two-dimensional translation is obtained from dynamic imaging by a single camera. High-speed motion of crystals, including translation and rotation, can be tracked in real timeviasimultaneous imaging and di

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Nestola, Fabrizio, Marcello Merli, Paolo Nimis, et al. "In situ analysis of garnet inclusion in diamond using single-crystal X-ray diffraction and X-ray micro-tomography." European Journal of Mineralogy 24, no. 4 (2012): 599–606. http://dx.doi.org/10.1127/0935-1221/2012/0024-2212.

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Gatta, G. D., N. Rotiroti, and M. Zucali. "Plastic deformations in kyanites by tectonometamorphic processes: a single-crystal X-ray diffraction study." Mineralogical Magazine 73, no. 3 (2009): 359–71. http://dx.doi.org/10.1180/minmag.2009.073.3.359.

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AbstractThe crystalch emistry and crystal structure of naturalky anite crystals from the Eclogitic Micaschists Complex of the Sesia-Lanzo Zone, Western Italian Alps, have been investigated by means of optical microscopy, wavelength dispersive X-ray microanalysis, and single-crystal X-ray diffraction. The association of kyanite + garnet + phengitic-mica + chloritoid suggests that the eclogite-facies stages occurred at P ≤ 2.1 GPa and T ≤ 650ºC. Kyanite grains are large (cm-sized) porphyroblasts grown dynamically during one of the deformational events related to the subduction of the Austroalpin

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Thilaga, K., P. Selvarajan, and S. M. Abdul Kader. "Growth, Surface Morphology and Mechanical Properties of Potassium Hydrogen Sulphate Single Crystals for Antimicrobial and Third-Order NLO Applications." Physics and Chemistry of Solid State 24, no. 4 (2023): 774–79. http://dx.doi.org/10.15330/pcss.24.4.774-779.

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A good quality single crystal of potassium hydrogen sulphate (KHS) has been grown and subjected to characterization techniques including single crystal X-ray diffraction, scanning electron microscope, hardness test, Z-scan and antimicrobial test. The single crystal X-ray diffraction study discloses the orthorhombic system of the KHS crystals. The SEM analysis shows the formation of tiny hillocks in the KHS crystal. Vickers microhardness test was utilized for testing the mechanical hardness of the grown KHS crystals. Moreover, the mechanical parameters such as elastic stiffness constant and yie

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Toraya, Hideo. "High-performance compact-multi-crystal analyzer for X-ray diffractometer scans." Journal of Applied Crystallography 42, no. 3 (2009): 485–89. http://dx.doi.org/10.1107/s0021889809008966.

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A new high-performance diffracted-beam analyzer consisting of multiple pieces of a perfect crystal is proposed. The pieces of Ge(111) crystal are set so that their crystal lattice planes coincide with tangent planes of a logarithmic spiral function. Each piece of the crystal works in the same manner as a single-crystal analyzer. An X-ray beam diffracted from a specimen is diffracted successively by individual crystals of the analyzer, and these diffracted beams are detected separately by a one-dimensional position-sensitive detector. If the analyzer consists of, for example, ten pieces of crys

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Namikawa, Y., M. Egami, S. Koyama, Y. Shiohara, and H. Kutami. "Crystallinity of YBa2Cu3O7−x single crystals grown by the pulling method." Journal of Materials Research 11, no. 4 (1996): 804–12. http://dx.doi.org/10.1557/jmr.1996.0097.

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Large YBa2Cu3O7−x (Y123) single crystals (larger than 13 mm cubed) have been grown along the c-axis reproducibly by the modified pulling method. The crystallinity of Y123 single crystal was investigated by x-ray diffraction and x-ray topography. Crystals grown from an MgO single crystal seed had some low angle subgrain boundaries which tilted 0.1–0.8° from each other. These grain boundaries originated from the seed crystal, and the subgrains were extended along the growth direction from the seed crystal. Y123 single crystals with no marked subgrains in the whole area were obtained by using Y12

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ABOUELHASSAN, S., F. SALMAN, M. ELMANSY, and E. SHEHA. "CHARACTERIZATION OF KHCO3 SINGLE CRYSTALS." Surface Review and Letters 11, no. 01 (2004): 83–86. http://dx.doi.org/10.1142/s0218625x04005901.

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Single crystals of KHCO 3 were grown by the slow evaporation technique of an aqueous solution. Characterization of the sample was done using different techniques such as X-ray diffraction, infrared spectra (IR) and the differential scanning calorimeter (DSC) technique. The analysis of the X-ray diffraction pattern indicated that the sample was a single crystal. The results obtained by IR and DSC indicated the presence of phase transition. From the analysis of DSC, the activation energy of transition was carried out by two methods (Kissinger and Ozawa).

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Kumar, M. Suresh, K. Rajesh, G. V. Vijayaraghavan, and S. Krishnan. "Structural and mechanical properties of diglycine perchlorate single crystals." Materials Science-Poland 36, no. 4 (2018): 733–38. http://dx.doi.org/10.2478/msp-2018-0086.

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AbstractGood quality diglycine perchlorate (DGPCL) single crystals were grown by slow evaporation solution growth method using the combination of glycine and perchloric acid in the ratio of 2:1. Single crystal X-ray diffraction and mechanical characterization of the grown single crystals of diglycine perchlorate were analyzed in this article. Lattice parameters, space group and crytal system were found from single crystal X-ray diffraction analysis. All the cell parameters and space group are in a good agreement with the reported values. Mechanical properties, such as Vicker’s microhardness nu

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J., Bhuvana, and Madhurambal G. "Effect of trytophan as dopant on potassium acid phthalate single crystals." Chemistry International 1, no. 2 (2015): 87–91. https://doi.org/10.5281/zenodo.1470009.

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Optically transparent single crystals of potassium acid phthalate (KAP, 0.5 g) 0.05 g and 0.1 g (1 and 2 mol %) trytophan were grown in aqueous solution by slow evaporation technique at room temperature. Single crystal X- ray diffraction analysis confirmed the changes in the lattice parameters of the doped crystals. The presence of functional groups in the crystal lattice has been determined qualitatively by FTIR analysis. Optical absorption studies revealed that the doped crystals possess very low absorption in the entire visible region. The dielectric constant has been studied as a function

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