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

Author: Grafiati

Published: 4 June 2021

Last updated: 26 July 2025

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1

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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2

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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3

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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4

Bindi, Luca, Oleg G. Safonov, Yuriy A. Litvin, Leonid L. Perchuk, and Silvio Menchetti. "Ultrahigh potassium content in the clinopyroxene structure: an X-ray single-crystal study." European Journal of Mineralogy 14, no. 5 (2002): 929–34. http://dx.doi.org/10.1127/0935-1221/2002/0014-0929.

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5

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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6

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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7

Nateprov, A., V. Ch Kravtsov, G. Gurieva, and S. Schorr. "Single crystal X-ray structure investigation of Cu2ZnSnSe4." Surface Engineering and Applied Electrochemistry 49, no. 5 (2013): 423–26. http://dx.doi.org/10.3103/s1068375513050098.

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8

Simon, A., K. Trübenbach, and H. Borrmann. "Single Crystal X-Ray Structure Analysis of YBa2Cu3O6.5." Journal of Solid State Chemistry 106, no. 1 (1993): 128–33. http://dx.doi.org/10.1006/jssc.1993.1271.

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9

Borah, Suchibrata, Alok Ch Kalita, and Nayanmoni Gogoi. "Single Crystal X-ray Structure of Zinctert-Butylphosphonate." Zeitschrift für anorganische und allgemeine Chemie 640, no. 8-9 (2014): 1789–92. http://dx.doi.org/10.1002/zaac.201400090.

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10

Li, Z. G., R. L. Harlow, WJ Marshall, M. K. Crawford, and M. A. Subramanian. "TEM contribution to solve the crystal structure of Sr5Ir3O11." Proceedings, annual meeting, Electron Microscopy Society of America 53 (August 13, 1995): 114–15. http://dx.doi.org/10.1017/s0424820100136945.

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X-ray diffraction plays a dominant role in the crystal structure determinations. Typically, diffraction data of a selected "single" crystal is first collected by a diffractometer, and then the crystal structure can be solved and refined. The quality of the structure determination is measured by the crystallographic residual value R. If the R value is reasonably small, the structural model is assumed to be correct. Usually, models found by x-ray diffraction do describe real structures and these can be confirmed by other techniques. We report here an unusual case, a plausible structural model wh

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11

Matsumoto, Yuji, Yuki Watabe, Fabio Iesari, et al. "Local Structure Analysis of Heavy Fermion Ce2Pt6Ga15 with a Honeycomb Structure Using Extended X-Ray Absorption Fine Structure." Metals 15, no. 4 (2025): 436. https://doi.org/10.3390/met15040436.

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Ce2Pt6Ga15 is a heavy fermion compound near the quantum critical point (QCP). Its crystal structure may exhibit magnetic frustration due to a honeycomb arrangement; however, stacking faults in the crystal hinder structural analysis. As a local structure probe, extended X-ray absorption fine structure (EXAFS) is less sensitive to stacking faults and is a powerful tool for crystal structure determination. We synthesized single-crystal Ce2Pt6Ga15, performed single-crystal and powder X-ray diffraction experiments, and conducted X-ray absorption spectroscopy (XAS) measurements. The composition of C

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12

Stolz, Jano, and Thomas Armbruster. "X-ray single-crystal structure refinement of Na, K-rich laumontite, originally designated 'primary leonhardite'." Neues Jahrbuch für Mineralogie - Monatshefte 1997, no. 3 (1997): 131–44. http://dx.doi.org/10.1127/njmm/1997/1997/131.

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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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14

Zhang, Xiaodong. "Synthesis and Crystal Structure of 5-chloroquinolin-8-yl Acrylate." Highlights in Science, Engineering and Technology 130 (February 24, 2025): 51–53. https://doi.org/10.54097/t1yn9h61.

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In this paper, a new Quinoline derivative (probe 1) was synthesized. Probe 1 was characterized by 1H NMR and their structures determined by single crystal X-ray diffraction. Single crystal X-ray diffraction (SCXRD) analysis revealed that probe 1 crystallized in the monoclinic space group P21/c. There is one ketone carbonyl, one double bond and pyridine ring in this structure. CCDC no.: 2394064.

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15

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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16

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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17

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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18

Kimura, Tsunehisa, Chengkang Chang, Fumiko Kimura, and Masataka Maeyama. "The pseudo-single-crystal method: a third approach to crystal structure determination." Journal of Applied Crystallography 42, no. 3 (2009): 535–37. http://dx.doi.org/10.1107/s0021889809013430.

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A novel method that enables single-crystal diffraction data to be obtained from a powder sample is presented. A suspension of LiCoPO4microrods was subjected to a frequency-modulated dynamic elliptical magnetic field to align the microrods; the alignment achieved was consolidated by photopolymerization of the suspending UV-curable monomer. The composite thus obtained (referred to as a pseudo single crystal) gave rise to X-ray diffraction data from which the crystal structure was solved using the standard method for single-crystal X-ray analyses. The structure determined was in good agreement wi

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19

Sirotkina, Ekaterina A., Luca Bindi, Andrey V. Bobrov, Anastasia Tamarova, Dmitry Yu Pushcharovsky, and Tetsuo Irifune. "X-ray single-crystal structural characterization of Na2MgSiO4 with cristobalite-type structure synthesised at 22 GPa and 1800 °C." European Journal of Mineralogy 30, no. 3 (2018): 485–89. http://dx.doi.org/10.1127/ejm/2017/0029-2687.

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20

Zhang, Xiaodong. "Synthesis and Crystal Structure of (Z)-2-(2-oxoacenaphthylen-1(2H)-ylidene)-2-(pyridin-3-yl) Acetonitrile." Highlights in Science, Engineering and Technology 127 (January 23, 2025): 102–5. https://doi.org/10.54097/k9wyfv31.

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In this paper, a new phenalenone derivative (Compound 1) was synthesized. Compound 1 was characterized by1H NMR and their structures determined by single crystal X-ray diffraction. Single crystal X-ray diffraction (SCXRD) analysis revealed that Compound 1 crystallized in the monoclinic space group P21/c. There is one ketone carbonyl, one double bond and pyridine ring in this structure. CCDC no.: 2394066.

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21

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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22

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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23

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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24

Fun, Hoong Kun, Suchada Chantrapromma, and Nawong Boonnak. "Single Crystal X-Ray Structural Determination: A Powerful Technique for Natural Products Research and Drug Discovery." Advanced Materials Research 545 (July 2012): 3–15. http://dx.doi.org/10.4028/www.scientific.net/amr.545.3.

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Drug discovery from natural products resources have been extensively studied. The most important step in the discovery process is the identification of compounds with interesting biological activity. Single crystal X-ray structure determination is a powerful technique for natural products research and drug discovery in which the detailed three-dimensional structures that emerge can be co-related to the activities of these structures. This article shall present (i) co-crystal structures, (ii) determination of absolute configuration and (iii) the ability to distinguish between whether a natural

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25

Thakur, Gohil S., Hans Reuter, Claudia Felser, and Martin Jansen. "Redetermination of Sr2PdO3 from single-crystal X-ray data." Acta Crystallographica Section E Crystallographic Communications 75, no. 1 (2019): 30–32. http://dx.doi.org/10.1107/s2056989018017176.

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The crystal structure redetermination of Sr2PdO3 (distrontium palladium trioxide) was carried out using high-quality single-crystal X-ray data. The Sr2PdO3 structure has been described previously in at least three reports [Wasel-Nielen & Hoppe (1970). Z. Anorg. Allg. Chem. 375, 209–213; Muller & Roy (1971). Adv. Chem. Ser. 98, 28–38; Nagata et al. (2002). J. Alloys Compd. 346, 50–56], all based on powder X-ray diffraction data. The current structure refinement of Sr2PdO3, as compared to previous powder data refinements, leads to more precise cell parameters and fractional coordinates,

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26

Yamasaki, Mikio, and Akihito Yamano. "The Latest Single Crystal X-ray Structure Analysis System." Journal of Synthetic Organic Chemistry, Japan 72, no. 5 (2014): 611–16. http://dx.doi.org/10.5059/yukigoseikyokaishi.72.611.

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27

Sciberras, M. J., P. Leverett, P. A. Williams, D. E. Hibbs, A. C. Roberts, and J. D. Grice. "THE SINGLE-CRYSTAL X-RAY STRUCTURE OF GAGARINITE-(Ce)." Canadian Mineralogist 49, no. 4 (2011): 1111–14. http://dx.doi.org/10.3749/canmin.49.4.1111.

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28

Ijjaali, I., G. Venturini, and B. Malaman. "X-ray single crystal refinement of the Ho3Si4 structure." Journal of Alloys and Compounds 269, no. 1-2 (1998): L6—L8. http://dx.doi.org/10.1016/s0925-8388(97)00626-9.

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29

Meidine, Mohamed F., Peter B. Hitchcock, Harold W. Kroto, Roger Taylor, and David R. M. Walton. "Single crystal X-ray structure of benzene-solvated C60." Journal of the Chemical Society, Chemical Communications, no. 20 (1992): 1534. http://dx.doi.org/10.1039/c39920001534.

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30

Ghalsasi, Pallavi, та Prasanna S. Ghalsasi. "Single Crystal X-Ray Structure of BeF2: α-Quartz". Inorganic Chemistry 50, № 1 (2011): 86–89. http://dx.doi.org/10.1021/ic101248g.

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31

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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32

van Langevelde, Arjen, Kees van Malssen, Frank Hollander, René Peschar та Henk Schenk. "Structure of mono-acid even-numbered β-triacylglycerols". Acta Crystallographica Section B Structural Science 55, № 1 (1999): 114–22. http://dx.doi.org/10.1107/s0108768198009392.

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The crystal structure of the β polymorph of tripalmitin (1,2,3-trihexadecanoylglycerol, β-PPP) has been determined by single-crystal X-ray diffraction. The molecules crystallize in space group P1¯ in an asymmetric tuning-fork conformation. This structure and the already-known crystal structures of β-tricaprin (β-CCC) and β-trilaurin (β-LLL) could be matched in an overlap model. Apart from a difference in chain length, the three structures are almost identical. The overlap model can be used to predict the crystal structure of the other members of the C n C n C n -type (n = even) TAG series reas

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33

Gulay, Nataliya, Yuriy Tyvanchuk, Marek Daszkiewicz, Bohdan Stel’makhovych, and Yaroslav Kalychak. "Crystal structure of Sc3Co1.64In4 and Sc10Co9In20 from single-crystal data." Zeitschrift für Naturforschung B 74, no. 3 (2019): 289–95. http://dx.doi.org/10.1515/znb-2018-0275.

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AbstractTwo compounds in the Sc-Co-In system were obtained by arc-melting of the pure metals and their crystal structures have been determined using single crystal X-ray diffraction data. The structure of Sc3Co1.64In4 (space group P6̅, а=7.6702(5), c=3.3595(2) Å, Z=1, R1=0.0160, wR2=0.0301) belongs to the Lu3Co2−xIn4 type structure, which is closely related to the ZrNiAl and Lu3CoGa5 types. The structure of Sc10Co9In20 (space group P4/nmm, а=12.8331(1), c=9.0226(1) Å, Z=2, R1=0.0203, wR2=0.0465) belongs to the Ho10Ni9In20 type, which is closely related to HfNiGa2.

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34

Ruck, Kirsten, Horst Borrmann, and Arndt Simon. "Crystal Structure of Sr0.2Ca2.8Tl2O6." Zeitschrift für Naturforschung B 49, no. 5 (1994): 635–36. http://dx.doi.org/10.1515/znb-1994-0510.

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Abstract The crystal structure of Sr0.2Ca2.8Tl2O6 has been determined by single crystal X-ray diffraction. The compound crystallizes in space group Pbam (No. 55) with a = 11.228(1), b = 16.471(1) and c = 3.3326(3) Å. It is isostructural with Ca3In2O6 and SrCa2In2O6.

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35

Venkateshwarlu, M., K. A. Hussain, and T. Bhaskar Rao. "X-ray data for triammonium citrate." Powder Diffraction 8, no. 3 (1993): 173–74. http://dx.doi.org/10.1017/s0885715600018133.

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The lattice parameters of triammonium citrate, (NH4)3C6H5O7, were determined by X-ray single crystal and powder diffraction methods. The crystal structure is orthorhombic with a = 6.187 ± 0.001 Å, b = 14.803 ± 0.004 Å, and c = 10.826 ± 0.003 Å, and from the systematic absences, the space group is Pcc2 ().

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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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37

Hsieh, Shang Hsien, Mukta Vinayak Limaye, Shashi Bhushan Singh та ін. "X-ray Absorption Spectroscopic studies of Single Crystal SrFeO3-δ". Acta Crystallographica Section A Foundations and Advances 70, a1 (2014): C1527. http://dx.doi.org/10.1107/s2053273314084721.

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We have prepared a high quality single crystal of SrFeO3-δ (δ ~ 0.14) by the floating-zone method to study the electronic and atomic structures using temperature-dependent x-ray absorption near-edge structure (XANES), x-ray linear dichroism (XLD), and extended x-ray absorption fine structure (EXAFS) at the O K-edge, Fe L3,2- and K-edge. Resistivity measurements indicate that the SrFeO2.86 shows an anisotropic behavior, and thermal hysteresis behavior between 70 K and 40 K. The temperature dependent Fe K-edge EXAFS studies shows that the Fe-O bond length changes in ab-plane below transition tem

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38

Kobayashi, Yuka, Kazuto Hirata, Samantha N. Hood та ін. "Crystal structure and metallization mechanism of the π-radical metal TED". Chemical Science 11, № 43 (2020): 11699–704. http://dx.doi.org/10.1039/d0sc03521a.

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39

Ohba, Shigeru, and Yoshikatsu Ito. "Single-crystal-to-single-crystal photodimerization of 4-chlorocinnamoyl-O,O'-dimethyldopamine." Acta Crystallographica Section B Structural Science 59, no. 1 (2003): 149–55. http://dx.doi.org/10.1107/s0108768102022760.

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[2+2]Photodimerization of the title compound, C19H20ClNO3, has been observed in situ by single-crystal X-ray diffraction. Pairs of monomers related by centers of symmetry have parallel C=C bonds at a C...C distance of 4.155 (17) Å. Irradiation of a single crystal with a mercury lamp achieves 100% conversion to the dimer. Redetermination of the structure during the course of the reaction revealed a linear correlation between the percent conversion to the dimer and the decrease in the cell volume. The displacement parameters for the pure dimer structure are substantially smaller than those for t

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40

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 (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 magn

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41

Bogdanowicz, Włodzimierz, Robert Albrecht, Arkadiusz Onyszko, and Jan Sieniawski. "Characterization of Single-Crystal Turbine Blades by X-Ray Diffraction Methods." Solid State Phenomena 203-204 (June 2013): 63–66. http://dx.doi.org/10.4028/www.scientific.net/ssp.203-204.63.

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Characterization of structure defects in turbine blades is the basis for determination of the overall crystalline perfections. This work presents the possibilities of identifying casting defects by combining different X-ray diffraction techniques. The investigation was conducted on samples prepared from as-cast turbine blades airfoil and tips. It was found that X-ray topograms revealed dendritic structure and macro strain areas. The defects areas which have appeared on topograms were also investigated by X-ray diffraction mapping technique by EFG diffractometer. Additionally, the X-ray investi

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42

Li, Yang, Jun-Hui Zhou, Gui-Jun Han, Min-Juan Wang, Wen-Ji Sun, and Ye Zhao. "X-ray Crystallographic Study of Ranaconitine." Natural Product Communications 6, no. 11 (2011): 1934578X1100601. http://dx.doi.org/10.1177/1934578x1100601107.

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The crystal structure of natural diterpenoid alkaloid ranaconitine isolated from Aconitum sinomontanum Nakai has been determined by single crystal X-ray diffraction analysis. The crystal presents a monoclinic system, space group C2 with Z = 4, unit cell dimensions a = 30.972(19) Å, b = 7.688(5) Å, and c = 19.632(12) Å. Moreover, the intermolecular O–H···O hydrogen bonds and weak π-π interactions play a critical role in expanding the dimensionality.

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Shen, Yihan, Yibin Jiang, Jianhua Lin, Cheng Wang, and Junliang Sun. "A general method for searching for homometric structures." Acta Crystallographica Section B Structural Science, Crystal Engineering and Materials 78, no. 1 (2022): 14–19. http://dx.doi.org/10.1107/s2052520621011859.

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The discovery of the homometry of X-ray diffraction dates back to the 1930s and shows the ambiguity in structure characterization purely from diffraction technologies. Since then, there has only been limited discussion on this topic with reference to several real structures and an efficient method for finding homometric structures for a known three-dimensional structure is still lacking today. In this work, a method was developed to create a set of structures with the same interatomic distances as an original structure, which can then be identified as powder X-ray diffraction or single-crystal

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Chemey, Alexander T., and Thomas E. Albrecht-Schmitt. "Redetermination of the crystal structure of tetralithium octafluoridozirconate(IV), Li4ZrF8, from single-crystal X-ray data." Acta Crystallographica Section E Crystallographic Communications 75, no. 2 (2019): 139–41. http://dx.doi.org/10.1107/s2056989018018194.

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Presented herein is the crystal-structure redetermination of Li4ZrF8 from single-crystal X-ray data. Alkali zirconium fluorides are important in nuclear-relevant technologies, and zirconium is commonly employed as an analogue for tetravalent f-block elements. The previous structure report of this species is based on powder X-ray data [Dugat et al. (1995). J. Solid State Chem. 120, 187–196] but there has never been a refined structure model from single-crystal data. The octafluoridozirconate moieties are held together by electrostatic attraction to lithium ions without sharing of fluoride sites

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Schriber, Elyse A., Daniel W. Paley, Robert Bolotovsky, et al. "Chemical crystallography by serial femtosecond X-ray diffraction." Nature 601, no. 7893 (2022): 360–65. http://dx.doi.org/10.1038/s41586-021-04218-3.

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AbstractInorganic–organic hybrid materials represent a large share of newly reported structures, owing to their simple synthetic routes and customizable properties1. This proliferation has led to a characterization bottleneck: many hybrid materials are obligate microcrystals with low symmetry and severe radiation sensitivity, interfering with the standard techniques of single-crystal X-ray diffraction2,3 and electron microdiffraction4–11. Here we demonstrate small-molecule serial femtosecond X-ray crystallography (smSFX) for the determination of material crystal structures from microcrystals.

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Comodi, P. "The 10 A phase: Crystal structure from single-crystal X-ray data." American Mineralogist 90, no. 5-6 (2005): 1012–16. http://dx.doi.org/10.2138/am.2005.1831.

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Calestani, G., and C. Rizzoli. "Crystal structure of the YBa2Cu3O7 superconductor by single-crystal X-ray diffraction." Nature 328, no. 6131 (1987): 606–7. http://dx.doi.org/10.1038/328606a0.

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Famery, R., and F. Queyroux. "Crystal structure refinement of Y2Cu2O5 from single crystal X-ray diffraction data." Materials Research Bulletin 24, no. 3 (1989): 275–81. http://dx.doi.org/10.1016/0025-5408(89)90212-2.

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Akimoto, J., Y. Oosawa, K. Tokiwa, M. Hirabayashi, and H. Ihara. "Crystal structure analysis of Cu0.6Ba2Ca3Cu4O10.8 by single-crystal X-ray diffraction method." Physica C: Superconductivity 242, no. 3-4 (1995): 360–64. http://dx.doi.org/10.1016/0921-4534(94)02417-0.

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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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