scholarly journals Determination of the full deformation tensor by multi-Bragg fast scanning nano X-ray diffraction

2020 ◽  
Vol 53 (1) ◽  
pp. 99-106
Author(s):  
Andreas Johannes ◽  
Jura Rensberg ◽  
Tilman A. Grünewald ◽  
Philipp Schöppe ◽  
Maurizio Ritzer ◽  
...  
Keyword(s):  
Surface Tension ◽  
Single Crystal ◽  
Spatial Resolution ◽  
Deformation Tensor ◽  
X Ray Diffraction ◽  
Projected Area ◽  
Absolute Value ◽  
X Ray ◽  
Grown Single Crystal

This work showcases a method to map the full deformation tensor in a single micro-sized crystal. It is shown that measuring the position of two Bragg reflections in reciprocal space is sufficient to obtain the full deformation tensor, if the condition of incompressibility of the material is imposed. This method is used to reveal the surface tension induced deformation at the edges of an as-grown single-crystal VO2 microwire. All components of the deformation tensor of the microwire were measured down to an absolute value of 10−4 in an 8 × 14 µm projected area of the wire. With a beam-defined spatial resolution of 150 × 150 nm, the measurement time was merely 2.5 h.

Synthesis of 4-(3-coumarinyl)-3-benzyl-4-thiazolin-2-one 4-methylbenzylidenehydrazone and determination of the isomeric structure by X-ray analysis

2003 ◽  
Vol 218 (12) ◽  
Author(s):  
Süheyla Özbey ◽  
Nilgün Karalı ◽  
Aysel Gürsoy
Keyword(s):  
Single Crystal ◽  
Diffraction Analysis ◽  
Spectral Data ◽  
X Ray Diffraction ◽  
X Ray ◽  
Isomeric Structure ◽  
Elemental Analyses

AbstractIn this study 4-(3-coumarinyl)-3-benzyl-4-thi azolin-2-one 4-methylbenzylidenehydrazone 3 was synthesised. An independent proof of the thiazolylhydrazone structure of 3 was achieved by single crystal X-ray diffraction analysis. Elemental analyses and spectral data (IR,

scholarly journals Magnetically Oriented Powder Crystal to Indexing and Structure Determination

2014 ◽  
Vol 70 (a1) ◽  
pp. C1560-C1560
Author(s):  
Fumiko Kimura ◽  
Wataru Oshima ◽  
Hiroko Matsumoto ◽  
Hidehiro Uekusa ◽  
Kazuaki Aburaya ◽  
...  
Keyword(s):  
Crystal Structure ◽  
Single Crystal ◽  
Crystal Lattice ◽  
Powder Diffraction ◽  
Diffraction Method ◽  
Lattice Parameters ◽  
X Ray Diffraction ◽  
X Ray ◽  
Crystal Lattice Parameters

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 three-dimensionally in a polymer matrix. The X-ray diffraction of the MOMA is equivalent to that of the corresponding large single crystal, enabling the determination of the crystal lattice parameters and crystal structure of the embedded microcrytals.[1-3] Because we make use of the diamagnetic anisotropy of crystal, those crystals that exhibit small magnetic anisotropy do not take sufficient three-dimensional alignment. However, even for these crystals that only align uniaxially, the determination of the crystal lattice parameters can be easily made compared with the determination by powder diffraction pattern. Once these parameters are determined, crystal structure can be determined by X-ray powder diffraction method. In this paper, we demonstrate possibility of the MOMA method to assist the structure analysis through X-ray powder and single crystal diffraction methods. We applied the MOMA method to various microcrystalline powders including L-alanine, 1,3,5-triphenyl benzene, and cellobiose. The obtained MOMAs exhibited well-resolved diffraction spots, and we succeeded in determination of the crystal lattice parameters and crystal structure analysis.

scholarly journals Rubidium tetrafluoridobromate(III): redetermination of the crystal structure from single-crystal X-ray diffraction data

IUCrData ◽  
2019 ◽  
Vol 4 (11) ◽  
Author(s):  
Artem V. Malin ◽  
Sergei I. Ivlev ◽  
Roman V. Ostvald ◽  
Florian Kraus
Keyword(s):  
Crystal Structure ◽  
Single Crystal ◽  
Single Crystals ◽  
Diffraction Data ◽  
Structure Type ◽  
X Ray Diffraction ◽  
X Ray ◽  
Square Planar ◽  
Atomic Coordinates

Single crystals of rubidium tetrafluoridobromate(III), RbBrF4, were grown by melting and recrystallizing RbBrF4 from its melt. This is the first determination of the crystal structure of RbBrF4 using single-crystal X-ray diffraction data. We confirmed that the structure contains square-planar [BrF4]− anions and rubidium cations that are coordinated by F atoms in a square-antiprismatic manner. The compound crystallizes in the KBrF4 structure type. Atomic coordinates and bond lengths and angles were determined with higher precision than in a previous report based on powder X-ray diffraction data [Ivlev et al. (2015). Z. Anorg. Allg. Chem. 641, 2593–2598].

Crystal structure determination of Ag2Ga by single crystal X-ray diffraction

1998 ◽  
Vol 213 (12) ◽  
Author(s):  
A. E. Gunnæs ◽  
A. Olsen ◽  
P. T. Zagierski ◽  
B. Klewe ◽  
O. B. Karlsen ◽  
...  
Keyword(s):  
Crystal Structure ◽  
Single Crystal ◽  
Structure Determination ◽  
Crystal Structure Determination ◽  
X Ray Diffraction ◽  
X Ray

AbstractThe crystal structure of

X-ray diffraction method for determination of interplanar spacing and temperature distribution in crystals under an external temperature gradient

2015 ◽  
Vol 48 (3) ◽  
pp. 853-856 ◽  
Author(s):  
V. R. Kocharyan ◽  
A. S. Gogolev ◽  
A. E. Movsisyan ◽  
A. H. Beybutyan ◽  
S. G. Khlopuzyan ◽  
...  
Keyword(s):  
Temperature Distribution ◽  
Temperature Gradient ◽  
Single Crystal ◽  
Interplanar Spacing ◽  
Diffraction Method ◽  
X Ray Diffraction ◽  
External Temperature ◽  
X Ray ◽  
Spacing Distribution

An X-ray diffraction method is developed for the determination of the distribution of temperature and interplanar spacing in a single-crystal plate. In particular, the temperature and the interplanar spacing differences in two different parts of a quartz single crystal of X-cut are experimentally determined depending on the value of the temperature gradient applied perpendicularly to the reflecting atomic planes (10\bar 11). The temperature distribution along the direction perpendicular to the reflecting atomic planes (10\bar 11) and the interplanar spacing distribution of atomic planes (10\bar 11) are determined as well.

scholarly journals Crystal Growth and Physico-Chemical Characterization of Semi-Organic [C4H12N2] ZnCl4. H2O Single Crystal for Laser Applications

2021 ◽  
Author(s):  
Karuppasamy Pichan ◽  
T. Kamalesh ◽  
M. Senthilpandian ◽  
P. Ramasamy
Keyword(s):  
Single Crystal ◽  
Grown Crystal ◽  
Chemical Characterization ◽  
Band Gap Energy ◽  
Optical Quality ◽  
X Ray Diffraction ◽  
Laser Applications ◽  
X Ray ◽  
Conventional Solution ◽  
Grown Single Crystal

Abstract Optical high quality semi-organic piperazinium tetrachlorozincate monohydrate, [C4H12N2] ZnCl4. H2O (PTCZ) single crystals were grown by conventional solution method. The structure of grown crystal was confirmed by the single crystal X-ray diffraction (SXRD) analysis. The material phase purities and its various (hkl) planes have been confirmed by the powder X-ray diffraction (PXRD) analysis at room temperature. The different functional groups were confirmed by the Fourier-transform infrared (FTIR) spectroscopy. The optical quality of the PTCZ single crystal and band gap energy have been identified by the UV-Vis NIR spectral analysis and also calculated refractive index of the material. The thermal stability of the PTCZ single crystal was investigated by TG-DTA. The hardness related properties were analyzed by microhardness tester. The dielectric properties have been measured on the grown single crystal and the electronic polarizability value has been calculated with various theoretical approach. The etching process was carried out on the grown crystal to finding the dislocation density. The crystal atomic perfection has been investigated by the high resolution X-ray diffraction (HRXRD) or Rocking curve (RC) analysis. The Z-scan measurement has been carried out to finding third-order optical susceptibility (χ(3)) of the grown single crystal using solid state laser (640 nm).

scholarly journals X-Ray Diffraction from Magnetically Oriented Microcrystal Suspension

2014 ◽  
Vol 70 (a1) ◽  
pp. C1136-C1136
Author(s):  
Kazuaki Aburaya ◽  
Chiaki Tsuboi ◽  
Fumiko Kimura ◽  
Kenji Matsumoto ◽  
Masataka Maeyama ◽  
...  
Keyword(s):  
Single Crystal ◽  
Magnetic Circuit ◽  
X Ray Diffraction ◽  
Glass Capillary ◽  
Uv Curable ◽  
X Ray ◽  
Novel Method ◽  
Diffraction Patterns ◽  
Magnetic Field Generator

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

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