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

Author: Grafiati

Published: 4 June 2021

Last updated: 27 July 2025

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1

Eichhorn, Klaus D. "Single-crystal X-ray diffractometry using synchrotron radiation." European Journal of Mineralogy 9, no. 4 (1997): 673–92. http://dx.doi.org/10.1127/ejm/9/4/0673.

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2

Molin, Gianmario, Fedora Martignago, and Alberto Dal Negro. "A new radiative microfurnace for X-ray single-crystal diffractometry." European Journal of Mineralogy 13, no. 3 (2001): 557–63. http://dx.doi.org/10.1127/0935-1221/2001/0013-0557.

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3

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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4

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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5

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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6

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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7

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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8

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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9

Hibbs, David E., Peter Leverett, and Peter A. Williams. "Buttgenbachite from Bisbee, Arizona, USA: a single-crystal X-ray study." Neues Jahrbuch für Mineralogie - Monatshefte 2002, no. 5 (2002): 225–40. http://dx.doi.org/10.1127/0028-3649/2002/2002-0225.

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10

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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11

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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12

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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13

Lyasnikova, M. S., A. A. Kylishov, G. A. Yurasik, D. N. Karimov, V. A. Postnikov, and A. E. Voloshin. "Spectral-luminescence and scintillation properties of p-terphenyl single crystal grown from melt." Kristallografiâ 69, no. 6 (2024): 1004–8. https://doi.org/10.31857/s0023476124060102.

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The results of the study of the photoluminescent and X-ray luminescent properties of the p-terphenyl crystalline element made from a single crystal grown from a melt using the Bridgman method are presented. The transmission, photoluminescence and X-ray luminescence spectra of the crystals were obtained and analyzed. The kinetics of photoluminescence and X-ray luminescence decay have been studied for p-terphenyl single crystal and the absolute light yield of X-ray luminescence has been determined.

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14

Guan, Yang, Shinji Fukao, Kazuyuki Ito, et al. "Improvement of Compact X-Rays Source Using Uniaxially Polarized LiNbO₃ Single Crystal." Key Engineering Materials 445 (July 2010): 43–46. http://dx.doi.org/10.4028/www.scientific.net/kem.445.43.

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X-ray radiation using pyroelectric crystal is intermittent and the X-ray intensity is low and unstable compared with a conventional X-ray radiation method, such as X-ray tube. It is expected that the X-ray intensity becomes stable if electric field intensity and supply of electron are stable. In this study, to use X-ray radiation equipment as an electron source, tandem-type X-ray radiation equipment which is composed of two LiNbO3 single crystals polarized in a z-axis is proposed. When the temperature gradient for each crystal was the same, the X-ray intensity became approximately 6 times high

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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 (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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16

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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17

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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18

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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19

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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20

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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21

Chong, Kenneth CW, Brian O. Patrick, and John R. Scheffer. "The crystal structure of a simple enol formed in a single-crystal-to-single-crystal enolene rearrangement." Canadian Journal of Chemistry 82, no. 2 (2004): 301–5. http://dx.doi.org/10.1139/v03-207.

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When crystals of 9-tricyclo[4.4.1.0]undecalyl-4-(carbomethoxy)phenyl ketone (1) were allowed to stand in the dark for extended periods of time at room temperature, the compound underwent a thermal reaction the enolene rearrangement to afford enol 2. The crystals remained transparent and appeared unchanged in shape as the reaction proceeded. X-ray diffraction data were collected on single crystals containing 17%, 25%, 66%, and 100% of the enol. The crystal structure of a simple enol was obtained via this novel single-crystal-to-single-crystal enolene rearrangement.Key words: single crystal,

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22

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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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

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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25

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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26

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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27

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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28

Inokuma, Yasuhide, and Makoto Fujita. "Single Crystal X-ray Analysis of Trace Compounds Using Porous Network Crystals." Acta Crystallographica Section A Foundations and Advances 70, a1 (2014): C1787. http://dx.doi.org/10.1107/s2053273314082138.

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Crystallization of compounds has been one of the major drawbacks of single crystal X-ray analysis. The situation becomes more difficult when we deal with volatile, oily, and trace amount of samples. We have developed a new method to prepare a single crystal sample for X-ray measurement from non-crystalline compounds on nanogram-to-microgram scale using porous coordination network crystals. Here porous crystals are used as crystalline sponges that can accommodate and three-dimensionally align the compounds in a single-crystal to single-crystal fashion. In this method, a crystalline sponge is so

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29

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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30

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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31

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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32

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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33

Brodsky, Merwyn B. "Single Crystals: What They Tell About High Temperature Superconductivity." MRS Bulletin 16, no. 5 (1991): 31–35. http://dx.doi.org/10.1557/s0883769400056876.

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From the beginning of the activity in high temperature superconductivity (near the end of 1986), there were efforts to grow single crystals of the compounds. The push for single crystals arose because earlier work on Chevrelphase superconductors (e.g., PbMo6S8) or re-entrant superconductors (ErRh4B4) showed that the properties of complex superconductors were easily masked by impurities, grain boundaries, imperfectly averaged properties, etc.As early as the so-called “Woodstock of Physics” (the American Physical Society Meeting in New York, March 1987), a single-crystal, x-ray diffraction struc

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34

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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35

Alemu, Dessale, Idris Shafi, and Tizazu Abza. "Synthesis, growth and characterization of magnesium chloride doped L-alanine cadmium chloride single crystal: For nonlinear optical application." East African Journal of Biophysical and Computational Sciences 3, no. 2 (2022): 61–67. http://dx.doi.org/10.4314/eajbcs.v3i2.6s.

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The aim of this research was to synthesize and characterize pure and magnesium chloride (MgCl2) doped L–alanine cadmium chloride (LACC) single crystals. Pure and MgCl2 doped LACC single crystals were synthesized by solution method with slow evaporation solution growth technique at room temperature. The single crystal X-ray diﬀraction studies of pure, 1 and 2 mol% MgCl2 doped LACC single crystals revealed monoclinic crystal structure with C2 space group. The optical properties of pure and MgCl2 doped LACC single crystals investigated by UV–VIS/NIR spectrometer confirmed that the crystals were t

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36

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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37

Di, Jiayu, Haojin Li, Li Chen, et al. "Low Trap Density Para-F Substituted 2D PEA₂PbX₄ (X = Cl, Br, I) Single Crystals with Tunable Optoelectrical Properties and High Sensitive X-Ray Detector Performance." Research 2022 (October 11, 2022): 1–11. http://dx.doi.org/10.34133/2022/9768019.

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Exploring halogen engineering is of great significance for reducing the density of defect states in crystals of organic-inorganic hybrid perovskites and hence improving the crystal quality. Herein, high-quality single crystals of PEA2PbX4 (X = Cl, Br, I) and their para-F (p-F) substitution analogs are prepared using the facile solution method to study the effects of both p-F substitution and halogen anion engineering. After p-F substitution, the triclinic PEA2PbX4 (X = Cl, Br) and cubic PEA2PbX4 (X = I) crystals unifies to monoclinic crystal structure for p-F-PEA2PbX4 (X = Cl, Br, I) crystals.

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38

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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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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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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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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Schingaro, E., E. Mesto, M. Lacalamita, F. Scordari, E. Kaneva, and F. N. Vladykin. "Single-crystal X-ray diffraction, EMPA, FTIR and X-ray photoelectron spectroscopy study of narsarsukite from Murun Massif, Russia." Mineralogical Magazine 81, no. 2 (2017): 339–54. http://dx.doi.org/10.1180/minmag.2016.080.135.

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AbstractA crystal chemical study of narsarsukite from the Murun alkaline massif, Russia has been carried out combining single-crystal X-ray diffraction, electron microprobe analyses, micro-Fourier transform infrared (FTIR) spectroscopy and X-ray photoelectron spectroscopy (XPS). The narsarsukite single crystals are tetragonal (space group I4/m) with unit-cell parameters: 10.7140(1) ≤ a ≤ 10.7183(2) Å and 7.9478(1) ≤ c ≤ 7.9511(1) Å. The XPS analysis showed that Fe occurs in the mineral as Fe3+, whereas the FTIR spectrum showed that the sample studied is anhydrous. The average crystal chemical

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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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Ashok Kumar, R., D. Rajan Babu, R. Ezhil Vizhi, N. Vijayan та G. Bhagavannarayana. "Synthesis, Growth and Optical Studies of Mn: α-LiIO₃ Single Crystal". Advanced Materials Research 584 (жовтень 2012): 3–7. http://dx.doi.org/10.4028/www.scientific.net/amr.584.3.

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Manganese doped alpha-lithium iodate have been synthesized and single crystals have been grown for nonlinear optical applications. The grown crystal has been subjected to single crystal X-ray diffraction to confirm the structure. The crystalline perfection was assessed by high-resolution X- ray diffractometer (HRXRD). Second harmonic generation (SHG) efficiency was found to be 71 times than that of KDP. The UV–Vis-NIR spectroscopic study revealed that the grown crystal has good optical transparency in the visible region clearly indicates that Mn doped α-LiIO3 crystals can be used as window mat

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Wang, Li Hua. "The Structure and Antibacterial Activity of Taurine and its Magnesium Complex." Advanced Materials Research 366 (October 2011): 404–7. http://dx.doi.org/10.4028/www.scientific.net/amr.366.404.

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The block single-crystals of taurine were obtained, and its structure was determined by single-crystal X-ray diffraction. The single-crystal X-ray analysis of taurine reveals that the crystal belongs monoclinic, space group P2(1)/c with a = 0.52824(10) nm, b = 1.1647(8) nm, c = 0.79236(13) nm, ß = 94.0850(10). The magnesium complex with taurine has been synthesized in ethanol. The antibacterial assay of the Mg (II) complex was measureed using a modified version of the 2-fold serial dilution method. The results show that the complex shows considerable antibacterial activity against escherichia

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Knowles, Kevin M., Anjan Sil, Berthold Stöger, and Matthias Weil. "Crystal structure of the thortveitite-relatedMphase, (MnxZn1–x)2V2O7(0.75." Acta Crystallographica Section C Structural Chemistry 74, no. 10 (2018): 1079–87. http://dx.doi.org/10.1107/s2053229618010458.

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The determination of the crystal structure of theMphase, (MnxZn1–x)2V2O7(0.75 <x< 0.913), in the pseudobinary Mn2V2O7–Zn2V2O7system forx≃ 0.8 shows that the previously published triclinic unit-cell parameters for this thortveitite-related phase do not describe a true lattice for this phase. Instead, single-crystal X-ray data and Rietveld refinement of synchrotron X-ray powder data show that theMphase has a different triclinic structure in the space groupP-1 withZ= 2. As prior work has suggested, the crystal structure can be described as a distorted version of the thortveitite crystal str

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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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Chimitova, O. D., B. G. Bazarov, J. G. Bazarova, et al. "The crystal growth and properties of novel magnetic double molybdate RbFe5(MoO4)7 with mixed Fe3+/Fe2+ states and 1D negative thermal expansion." CrystEngComm 23, no. 18 (2021): 3297–307. http://dx.doi.org/10.1039/d1ce00118c.

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Single crystals of new composition RbFe<sub>5</sub>(MoO<sub>4</sub>)<sub>7</sub> were successfully grown by the flux method, and their crystal structure was determined using the X-ray single-crystal diffraction technique.

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Yang, Ping, and Thomas Armbruster. "X-ray single-crystal structure refinement of NH4-exchanged heulandite at 100 K." European Journal of Mineralogy 10, no. 3 (1998): 461–72. http://dx.doi.org/10.1127/ejm/10/3/0461.

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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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