Single Crystal X-Ray Diffraction Data
Redetermination of the crystal structure of β zinc molybdate from single crystal X ray diffraction data
... The crystal structure of the -polymorph of ZnMoO 4 was re- determined on the basis of single-crystal X-ray diffraction ...powder X-ray diffraction studies ...
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Redetermination of LaZn5 based on single crystal X ray diffraction data
... In contrast to previous determinations based on X-ray powder data [Nowotny (1942). Z. Metallkd. 34, 247–253; de Negri et al. (2008). Intermetallics, 16, 168–178], where unit-cell parameters and ...
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Redetermination of the crystal structure of R5Si4 (R = Pr, Nd) from single crystal X ray diffraction data
... Condens. Matter, 14, 7191–7200] and X-ray [Smith et al. (1967). Acta Cryst. 22 940–943; Yang et al. (2002b). J. Alloys Compd. 339, 189–194; Yang et al., (2003). J. Alloys Compd. 263, 146–153] and ...
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Crystal structures of cristobalite type and coesite type PON redetermined on the basis of single crystal X ray diffraction data
... 4. Refinement Crystal data, data collection and structure refinement details are summarized in Table 1. Structure refinements of both coe- PON and cri-PON were performed using occupancies of oxygen ...
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Crystal Structures of Various Organic Materials and a Statistical Analysis of Single Crystal X -Ray Diffraction Data From Potassium -Doped Barium Plumbate.
... an A cation large enough to f it snugly in the cavity and enjoy 12-fold coordination; and the satisfaction o f valence and charge requirements. One unstated requirement must also be met — that o f a proportionally ...
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Comparative crystal structure determination of griseofulvin: Powder X-ray diffraction versus single-crystal X-ray diffraction
... collecting single-crystal diffraction data indexing results were obtained with a tetragonal cell, P41 space group and lattice parameters ...the diffraction intensities are distributed ...
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Redetermination of dysprosium trinickel from single crystal X ray data
... indicators: single-crystal X-ray study; T = 293 K; mean (Dy–Ni) = ...0.043; data-to-parameter ratio = 11.6. The crystal structure of the title compound, DyNi 3 , was redetermined ...
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Inversion parameter of the CoGa2O4 spinel determined from single crystal X ray data
... Single crystals of cobalt digallium tetraoxide, CoGa 2 O 4 , have been grown by cooling slowly a 1:1 mixture of CoO and Ga 2 O 3 from 1473 K to room temperature under the presence of a PbF 2 flux. The compound ...
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Redetermination of the low temperature polymorph of Li2MnSiO4 from single crystal X ray data
... structural data based on single-crystal X-ray diffraction data have been reported for Li 2 MnSiO 4 , although recent works on positive electrode materials for rechargeable ...
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Automating the single crystal x ray diffraction experiment
... Determination of unit cell using phi/chi scans and DirAx - Determination of unit cell using phi/chi scans and DirAx - evaluate evaluate Carrying out of strategy calculation and data collection Carrying out of ...
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Single Crystal X Ray Diffraction Studies on Magnetic Yb5Co4Ge10
... oxidation during heating. The reactants were then heated to 1173 K over 8 h, and maintained at that temperature for 2 h to allow proper homogenization, then cooled down to 1073 K in 2 h and kept at this temperature for ...
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Single X ray diffraction: A technique to elucidate the structure of crystal
... the crystal,quality of crystal should be good. Quality of crystal is characterized by maximum diffraction angle (θ) and is also expressed in “resolution” ...the diffraction angle, the ...
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Crystal structure of dicesium hydrogen citrate from laboratory single crystal and powder X ray diffraction data and DFT comparison
... laboratory X-ray single-crystal diffraction data, refined using laboratory powder X-ray data, and optimized using density functional ...
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Redetermination of Ba2CdTe3 from single crystal X ray data
... powder X-ray diffraction data [Wang & DiSalvo ...from single- crystal X-ray data, all atoms were refined with anisotropic displacement ...
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High-pressure single-crystal X-ray diffraction and synchrotron Mössbauer study of monoclinic ferrosilite
... conducted single-crystal X-ray diffraction and time-domain synchrotron Mo¨ssbauer spectroscopy on a synthetic monoclinic ferrosilite, FeSiO 3 , up to lower- mantle pressures at room ...
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Single crystal X ray diffraction and NMR crystallography of a 1:1 cocrystal of dithianon and pyrimethanil
... 2.2. Single-crystal X-ray diffraction: structure solution and refinement Crystal data, data collection and structure refinement details are summarized in Table ...
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Crystal structure of Pigment Red 254 from X ray powder diffraction data
... The pigment exhibits very low solubility in all solvents, impeding the growth of single crystals suitable for X-ray analyses. Pigments are not dissolved in their application media, but finely ...
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Introduction to single crystal X-ray analysis
... Therefore, it is needed to determine the phases in some way. The direct method is almost uniquely employed to solve the phase problem for small molecule crystals. This methods estimate phases statistically from the ...
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Double crystal x-ray diffraction simulations of diffusion in semiconductor microstructures
... analysis would be necessary. However, the macroscopic model employed is of proven utility for abstracting informa- tion from experimental data. 14 Figure 1 shows diffusion profiles for a single CdTe well of ...
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High-pressure sapphire capillary cell for synchrotron single-crystal X-ray diffraction measurements to 1500 bar
... S.3.2 Protection Against Cell Failure The greatest hazard to the user during a data collection using the sapphire capillary cell is the catastrophic failure of the cell body. Should this occur, it would do so with ...
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