Structural Investigations of Vapochromic Behavior. X-ray Single-Crystal and Powder Diffraction Studies of [Pt(CN-iso-C3H7)4][M(CN)4] for M = Pt or Pd

1998 ◽  
Vol 120 (31) ◽  
pp. 7783-7790 ◽  
Author(s):  
Carrie E. Buss ◽  
Carolyn E. Anderson ◽  
Marie K. Pomije ◽  
Christopher M. Lutz ◽  
Doyle Britton ◽  
...  
Keyword(s):  
Single Crystal ◽  
Powder Diffraction ◽  
Structural Investigations ◽  
X Ray ◽  
Vapochromic Behavior

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.

Structure Refinements of the Layered Intergrowth Phases SbIIISbV x A 1−x TiO6 (x≃0, A = Ta, Nb) Using Synchrotron X-ray Powder Diffraction Data

1997 ◽  
Vol 53 (6) ◽  
pp. 861-869 ◽  
Author(s):  
C. D. Ling ◽  
J. G. Thompson ◽  
S. Schmid ◽  
D. J. Cookson ◽  
R. L. Withers
Keyword(s):  
Single Crystal ◽  
Powder Diffraction ◽  
Diffraction Data ◽  
Homologous Series ◽  
Rietveld Method ◽  
Powder Diffraction Data ◽  
X Ray Diffraction ◽  
Synchrotron Source ◽  
X Ray ◽  
The Family

The structures of the layered intergrowth phases SbIIISb^{\rm V}_xAl-xTiO6 (x \simeq 0, A = Ta, Nb) have been refined by the Rietveld method, using X-ray diffraction data obtained using a synchrotron source. The starting models for these structures were derived from those of Sb^{\rm III}_3Sb^{\rm V}_xA 3−xTiO14 (x = 1.26, A = Ta and x = 0.89, A = Nb), previously solved by single-crystal X-ray diffraction. There were no significant differences between the derived models and the final structures, validating the approach used to obtain the models and confirming that the n = 1 and n = 3 members of the family, Sb^{\rm III}_nSb^{\rm V}_xA n−xTiO4n+2 are part of a structurally homologous series.

X-ray powder diffraction data for estra-4,9-diene-3,17-dione, C18H22O2

2020 ◽  
Vol 35 (4) ◽  
pp. 282-285
Author(s):  
Zhicheng Zha ◽  
Ting Tang ◽  
Xiaoyan Bian ◽  
Qing Wang
Keyword(s):  
Single Crystal ◽  
Cell Volume ◽  
Powder Diffraction ◽  
Structure Data ◽  
Diffraction Data ◽  
Unit Cell Volume ◽  
Unit Cell ◽  
Powder Diffraction Data ◽  
Space Group ◽  
X Ray

X-ray powder diffraction data for estra-4,9-diene-3,17-dione, C18H22O2, are reported [a = 9.236(7) Å, b = 10.294(4) Å, c = 15.471(1) Å, unit cell volume V = 1471.11 Å3, Z = 4, and space group P212121]. All measured lines were indexed and are consistent with the P212121 space group. No detectable impurities were observed. The single-crystallographic data of the compound are also reported [a = 9.2392(7) Å, b = 10.2793(5) Å, c = 15.4822(7) Å, unit cell volume V = 1470.37(15) Å3, Z = 4, and space group P212121]. Both single-crystal and powder diffraction methods can get the similar structure data.

scholarly journals Use of Imaging Plates in X-Ray Analysis

1997 ◽  
Vol 29 (1-2) ◽  
pp. 89-101 ◽  
Author(s):  
M. Ermrich ◽  
F. Hahn ◽  
E. R. Wölfel
Keyword(s):  
Single Crystal ◽  
Single Crystals ◽  
Powder Diffraction ◽  
Polycrystalline Materials ◽  
Imaging Plate ◽  
Two Dimensional ◽  
X Ray ◽  
Working Principle ◽  
Imaging Plates

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.

Iridescent anthophyllite-gedrite from Simiuttat, Nuuk district, southern West Greenland composition, exsolution, age

1996 ◽  
Vol 60 (403) ◽  
pp. 937-947 ◽  
Author(s):  
K. A. Rodgers ◽  
P. D. Kinny ◽  
V. R. McGregor ◽  
G. R. Clark ◽  
G. S. Henderson
Keyword(s):  
Single Crystal ◽  
Powder Diffraction ◽  
Diffraction Grating ◽  
Plan View ◽  
Late Archaean ◽  
Space Group ◽  
X Ray ◽  
West Greenland ◽  
The North ◽  
Afm Imaging

AbstractGolden iridescent, <1–100 mm crystals of alternating lamellae of anthophyllite and gedrite constitute the bulk of orthoamphibolite pods within quartz-cordierite gneisses of the Akulleq terrane at Simiuttat, SW Greenland. X-ray powder diffraction powder gave a = 18.526(7),b = 17.979(15), c = 5.285(23) Å; a single crystal has a = 18.546(7), b = 17.950(16), c = 5.280(1) Å, space group Pnma with some reflections being notably broader than others. Spot EMPA yielded composite analyses: AlIV = 0.89–1.3, Mg/(Mg+Fe2+) = 0.57–0.61, Na/AlIV = 0.22–0.26. AFM imaging of {210} cleavage surfaces, showed a uniform corrugated morphology parallel to [001]; wavelength was 190–350 nm, mean 250 nm, amplitude 3 nm. A plan view resembles TEM images of (010)-parallel exsolution textures of orthoamphiboles. A second set of corrugations may crosscut the [001]-parallel ridges at 20–25°, akin to reported lamellar intergrowths developed parallel to both (010) and (120). Unequivocal evidence linking topography with lamellae is absent. In contrast to the conventional multi-layer reflector model, the ridged surface provides an additional origin for iridescence, acting as a diffraction grating. Included zircons, 50–10 μm, have Hf/Zr = 0.008–0.012, Hf+FeIIc. 0.16. 207Pb/206Pb ages are from 2690 to 2770 Ma, averaging 2732±10 Ma. Coexisting, included Th-, La-, Ce-, Pr-, Nd-, Gd-, Y-monazites have 207Pb/206Pb ages from 2680 to 2720 Ma, averaging 2707±12 Ma. The included crystals grew during a late Archaean metamorphism that produced overgrowths on zircons within gneisses to the north, but with Simiuttat grains showing a more complex history. The lamellae may have developed at the same time, or during a reheating c. 2550 Ma, or in a subsequent Proterozoic metamorphism.

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