X-ray powder diffraction study of cesium ammonium hexachlorotellurate [Cs0.86(NH4)0.14]2TeCl6

2006 ◽  
Vol 21 (3) ◽  
pp. 225-228 ◽  
Author(s):  
R. Karray ◽  
A. Kabadou ◽  
A. Ben Salah ◽  
A. van der Lee
Keyword(s):  
Crystal Structure ◽  
Powder Diffraction ◽  
Related Compound ◽  
Room Temperature ◽  
Diffraction Method ◽  
Large Family ◽  
Lattice Parameter ◽  
X Ray ◽  
Ammonium Group ◽  
Ir Spectroscopic

The crystal structure of cesium ammonium hexachlorotellurate [Cs0.86(NH4)0.14]2TeCl6, has been determined using X-ray powder diffraction techniques. At room temperature, the title compound crystallizes in the cubic space group Fm3m, with a lattice parameter a=10.470(17) Å. The Rietveld refinement of the structure led to final confidence factors Rp=0.0338 and Rwp=0.0487. The structure of [Cs0.86(NH4)0.14]2TeCl6 belongs to the large family of K2PtCl6-related structures. The H atoms of the ammonium group are orientated with its apex toward Te atoms as seen in the related compound (NH4)2SiF6. An IR spectroscopic study was performed to confirm the results of the diffraction method, notably concerning the presence of the ammonium group.

Crystal Structure of the High-Temperature Phase of a Compound Sr2ZnWO6

1992 ◽  
Vol 7 (4) ◽  
pp. 226-227 ◽  
Author(s):  
Fu Zhengmin ◽  
Li Wenxiu
Keyword(s):  
Crystal Structure ◽  
High Temperature ◽  
Powder Diffraction ◽  
Room Temperature ◽  
Lattice Parameter ◽  
High Temperature Phase ◽  
Temperature Phase ◽  
X Ray ◽  
Cubic System ◽  
Measured Density

AbstractThe crystal structure of the high-temperature phase of Sr2ZnWO6 prepared by air quenching from 1200° C has been determined by means of X-ray powder diffraction. β-Sr2ZnWO6 belongs to the cubic system, with space group Fm3m and a lattice parameter a = 7.9266 Å at room temperature. Its measured density is Dm = 6.93g/cm3, and each unit cell contains four formula weights.

X-ray powder diffraction study of Sn0.59Ti0.41Te3O8

2008 ◽  
Vol 23 (3) ◽  
pp. 228-231 ◽  
Author(s):  
W. Ben Aribia ◽  
M. Loukil ◽  
A. Kabadou ◽  
A. Ben Salah
Keyword(s):  
Powder Diffraction ◽  
Room Temperature ◽  
Structural Information ◽  
Lone Pair ◽  
Lattice Parameter ◽  
X Ray Diffraction ◽  
Scanning Calorimetry ◽  
X Ray ◽  
The Stability ◽  
Ir Spectroscopic

The crystal structure of titanium-tin tellurium oxide Sn0.59Ti0.41Te3O8 has been determined using X-ray powder diffraction techniques. At room temperature, the title compound crystallizes in cubic space group Ia-3, with lattice parameter a=11.05515(6) Å. Rietveld refinement of the structure led to final confidence factors Rp=0.0395 and Rwp=0.0577. The structure of Sn0.59Ti0.41Te3O8 consists of isolated Ti/SnO6-octahedra slightly deformed in the a direction. The TeO4E [E=lone pair of Te(IV) atoms] groups are located between the octahedra ensuring the stability of the structure by Ti/Sn-O-Te bonding contacts. Only one peak in thermal behavior was detected for this compound at 488 K by differential scanning calorimetry experiment. An IR spectroscopic study is employed as a means to obtain preliminary structural information and shows the presence of the Ti/SnO6 and TeO4E groups. This result is later confirmed by X-ray diffraction studies.

Crystal structure of Ca1−xSrxZr4(PO4)6 (0≤x≤1)

2004 ◽  
Vol 19 (2) ◽  
pp. 153-156 ◽  
Author(s):  
Werner Fischer ◽  
Lorenz Singheiser ◽  
Debabrata Basu ◽  
Amit Dasgupta
Keyword(s):  
Crystal Structure ◽  
Solid Solution ◽  
High Temperature ◽  
Structural Transformation ◽  
Powder Diffraction ◽  
Room Temperature ◽  
Lattice Parameter ◽  
Unit Cell ◽  
X Ray Diffraction ◽  
X Ray

The crystal structure of several compounds of Ca1−xSrxZr4(PO4)6 ceramics has been investigated by X-ray powder diffraction at room temperature. All compounds form a solid solution with a unique unit cell. While the lattice parameter a of the hexagonal unit cell decreases of about 0.9% with increasing Sr content only slightly, it considerably elongates in c direction (2.8%). No structural transformation has been observed by high-temperature X-ray diffraction up to 1000 °C.

Crystal structure of the anticancer drug carmustine determined by X-ray powder diffraction

2021 ◽  
pp. 1-3
Author(s):  
Carina Schlesinger ◽  
Edith Alig ◽  
Martin U. Schmidt
Keyword(s):  
Crystal Structure ◽  
Anticancer Drug ◽  
Powder Diffraction ◽  
Room Temperature ◽  
Powder Diffraction Data ◽  
Orthorhombic Space Group ◽  
Commercial Sample ◽  
One Dimensional ◽  
X Ray ◽  
Hydrogen Bond Pattern

The structure of the anticancer drug carmustine (1,3-bis(2-chloroethyl)-1-nitrosourea, C5H9Cl2N3O2) was successfully determined from laboratory X-ray powder diffraction data recorded at 278 K and at 153 K. Carmustine crystallizes in the orthorhombic space group P212121 with Z = 4. The lattice parameters are a = 19.6935(2) Å, b = 9.8338(14) Å, c = 4.63542(6) Å, V = 897.71(2) ų at 153 K, and a = 19.8522(2) Å, b = 9.8843(15) Å, c = 4.69793(6) Å, V = 921.85(2) ų at 278 K. The Rietveld fits are very good, with low R-values and smooth difference curves of calculated and experimental powder data. The molecules form a one-dimensional hydrogen bond pattern. At room temperature, the investigated commercial sample of carmustine was amorphous.

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.

High-temperature X-ray powder diffraction study of the tetragonal-cubic phase transition in nanocrystalline, compositionally homogeneous ZrO2–CeO2 solid solutions

2008 ◽  
Vol 23 (S1) ◽  
pp. S70-S74 ◽  
Author(s):  
L. M. Acuña ◽  
R. O. Fuentes ◽  
D. G. Lamas ◽  
I. O. Fábregas ◽  
N. E. Walsöe de Reca ◽  
...  
Keyword(s):  
Crystal Structure ◽  
Phase Transition ◽  
High Temperature ◽  
Powder Diffraction ◽  
Solid Solutions ◽  
Tetragonal Phase ◽  
Room Temperature ◽  
Cubic Phase ◽  
X Ray ◽  
First Order

Crystal structure of compositionally homogeneous, nanocrystalline ZrO2–CeO2 solutions was investigated by X-ray powder diffraction as a function of temperature for compositions between 50 and 65 mol % CeO2. ZrO2-50 and 60 mol % CeO2 solid solutions, which exhibit the t′-form of the tetragonal phase at room temperature, transform into the cubic phase in two steps: t′-to-t″ followed by t″-to-cubic. But the ZrO2-65 mol % CeO2, which exhibits the t″-form, transforms directly to the cubic phase. The results suggest that t′-to-t″ transition is of first order, but t″-to-cubic seems to be of second order.

CRYSTAL STRUCTURE, ELECTRICAL CONDUCTIVITY AND THERMAL EXPANSION OF Pr1-xSrxFeO3-δ(0 ≤ x ≤ 0.6)

2012 ◽  
Vol 26 (32) ◽  
pp. 1250174 ◽  
Author(s):  
V. PRASHANTH KUMAR ◽  
Y. S. REDDY ◽  
P. KISTAIAH ◽  
C. VISHNUVARDHAN REDDY
Keyword(s):  
Crystal Structure ◽  
Electrical Conductivity ◽  
Thermal Expansion ◽  
Room Temperature ◽  
Small Polaron ◽  
Linear Thermal Expansion ◽  
Lattice Parameter ◽  
Polaron Hopping ◽  
X Ray ◽  
Perovskite Type

The crystal structure at room temperature (RT), thermal expansion from RT to 1000°C and electrical conductivity, from RT to 600°C, of the perovskite-type oxides in the system Pr 1-x Sr x FeO 3(x = 0, 0.2, 0.4, 0.6) were studied. All the compounds have the orthorhombic perovskite GdFeO 3-type structure with space group Pbnm. The lattice parameters were determined by X-ray powder diffraction. The Pseudo cubic lattice parameter decreases with an increase in x, while the coefficient of linear thermal expansion increases. The thermal expansion is almost linear for x = 0 and 0.2. The electrical conductivity increases with increasing x while the activation energy decreases. The electrical conductivity can be described by the small polaron hopping conductivity model.

X-ray powder diffraction data for ErH2−xDx

2008 ◽  
Vol 23 (3) ◽  
pp. 259-264 ◽  
Author(s):  
Mark A. Rodriguez ◽  
Robert M. Ferrizz ◽  
Clark S. Snow ◽  
James F. Browning
Keyword(s):  
Powder Diffraction ◽  
Diffraction Data ◽  
Room Temperature ◽  
Lattice Parameter ◽  
Powder Diffraction Data ◽  
Mole Percent ◽  
X Ray ◽  
Cubic Lattice ◽  
Fluorite Type ◽  
Hydrogen Deuterium

X-ray powder diffraction data for ErH2−xDx formed by hydrogen (i.e., protium)–deuterium loading of Er metal are reported. Lattice parameters for the varying hydrogen–deuterium compositions followed Vergard’s law behavior. The cubic lattice parameter at room temperature for ErH2−xDx obeys a linear relationship according to the formula a=5.1287−1.1120×10−4⋅x, where a is the lattice parameter of the fluorite-type structure and x is the mole percent of deuterium. Microstrain measurements suggest a possible ordering of hydrogen and deuterium in the composition ErH1D1.

Synthesis and crystal-structure determination of fibrillar methylammonium trimolybdate hydrate

2007 ◽  
Vol 22 (3) ◽  
pp. 241-245 ◽  
Author(s):  
B. Włodarczyk-Gajda ◽  
A. Rafalska-Łasocha ◽  
W. Łasocha
Keyword(s):  
Crystal Structure ◽  
Powder Diffraction ◽  
Rietveld Method ◽  
Synthesis Method ◽  
Diffraction Method ◽  
Orthorhombic Space Group ◽  
Synthesis And Crystal Structure ◽  
X Ray ◽  
Novel Synthesis

A novel synthesis method of fibrillar trimolybdates with the use of Ag2Mo3O10∙2H2O as a precursor has been used successfully to synthesize methylammonium trimolybdate, (CH3NH3)2Mo3O10∙H2O. The crystal structure of this compound was determined by X-ray powder diffraction method and refined by the Rietveld method. The compound is orthorhombic, space group Pnma (62), with a=11.241(3), b=7.585(1), and c=15.516(4) Å. The redetermined crystal structure of the precursor and the structure of the title compound are compared and discussed.

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