Spectral and structural studies of some Group VIA dioxydihalides

1966 ◽  
Vol 19 (5) ◽  
pp. 741 ◽  
Author(s):  
CG Barraclough ◽  
J Stals
Keyword(s):  
Solid State ◽  
Gas Phase ◽  
Powder Diffraction ◽  
Infrared Spectra ◽  
Diffraction Data ◽  
Mass Spectra ◽  
Structural Studies ◽  
Powder Diffraction Data ◽  
X Ray ◽  
Oxygen Atoms

The infrared and mass spectra of MoO2Cl2, MoO2Br2, WO2Cl2, and WO2Br2 in the gas phase have been studied. The vapours contain mostly monomeric molecules but there is also a small amount of relatively unstable dimeric species present in each case. In inert solvents MoO2Cl2 and MoO2Br2 are dimeric and the infrared spectra are reported. In the solid state all four compounds are polymeric and the absence of the characteristic M = O infrared frequency suggests that only bridging oxygen atoms can be present. X-ray powder diffraction data suggest that the four compounds are isomorphous.

scholarly journals Crystal structures of the triple perovskites Ba2K2Te2O9and Ba2KNaTe2O9, and redetermination of the double perovskite Ba2CaTeO6

2018 ◽  
Vol 74 (7) ◽  
pp. 1006-1009 ◽  
Author(s):  
Matthias Weil
Keyword(s):  
Solid State ◽  
Single Crystals ◽  
Powder Diffraction ◽  
Diffraction Data ◽  
Perovskite Structure ◽  
Double Perovskite ◽  
Powder Diffraction Data ◽  
Space Group ◽  
X Ray ◽  
Group Type

Single crystals of Ba2K2Te2O9(dibarium dipotassium nonaoxidoditellurate), (I), Ba2KNaTe2O9(dibarium potassium sodium nonaoxidoditellurate), (II), and Ba2CaTeO6(dibarium calcium hexaoxidotellurate), (III), were obtained from KNO3/KI or KNO3/NaNO3flux syntheses in platinum crucibles for (I) and (II), or porcelain crucibles for (III). (I) and (II) are isotypic and are members of triple perovskites with general formulaA2[12co]A′[12co]B2[6o]B′[6o]O9. They crystallize in the 6H-BaTiO3structure family in space-group typeP63/mmc, with theA,A′,BandB′ sites being occupied by K, Ba, Te and a second Ba in (I), and in (II) by mixed-occupied (Ba/K), Ba, Te and Na sites, respectively. (III) adopts theA2[12co]B′[6o]B′′[6o]O6double perovskite structure in space-group typeFm-3m, with Ba, Ca and Te located on theA,B′ andB′′sites, respectively. The current refinement of (III) is based on single-crystal X-ray data. It confirms the previous refinement from X-ray powder diffraction data [Fuet al.(2008).J. Solid State Chem.181, 2523–2529], but with higher precision.

Powder-diffraction data for several solid solutions with the compositions (CaxSr1−x)CuO2 and (CaxSr1−x)2CuO3

1995 ◽  
Vol 10 (4) ◽  
pp. 296-299 ◽  
Author(s):  
S. T. Misture ◽  
C. Park ◽  
R. L. Snyder ◽  
B. Jobst ◽  
B. Seebacher
Keyword(s):  
High Temperature ◽  
Solid State ◽  
Powder Diffraction ◽  
Solid Solutions ◽  
Diffraction Data ◽  
Solid State Reaction ◽  
High Temperature Superconductors ◽  
Powder Diffraction Data ◽  
X Ray ◽  
Diffraction Patterns

Several compositions of the solid solutions (CaxSr1−x)CuO2 and (CaxSr1−x)2CuO3, both of which are found as minor phases in the high-temperature superconductors, were prepared by solid-state reaction. X-ray powder-diffraction patterns for three compositions of (CaxSr1−x)CuO2 and two for (CaxSr1−x)2CuO3 are presented.

scholarly journals RbCa2Nb3O10from X-ray powder data

2009 ◽  
Vol 65 (6) ◽  
pp. i44-i44 ◽  
Author(s):  
Zhen-Hua Liang ◽  
Kai-Bin Tang ◽  
Qian-Wang Chen ◽  
Hua-Gui Zheng
Keyword(s):  
Crystal Structure ◽  
Solid State ◽  
Powder Diffraction ◽  
Diffraction Data ◽  
Solid State Reaction ◽  
Perovskite Structure ◽  
Three Dimensional ◽  
Rietveld Analysis ◽  
Powder Diffraction Data ◽  
X Ray

Rubidium dicalcium triniobate(V), RbCa2Nb3O10, has been synthesized by solid-state reaction and its crystal structure refined from X-ray powder diffraction data using Rietveld analysis. The compound is a three-layer perovskite Dion–Jacobson phase with the perovskite-like slabs derived by termination of the three-dimensional CaNbO3perovskite structure along theabplane. The rubidium ions (4/mmmsymmetry) are located in the interstitial space.

Crystal structure of new triple molybdate AgMg3Ga(MoO4)5 from Rietveld refinement

2017 ◽  
Vol 32 (4) ◽  
pp. 255-260
Author(s):  
Irina Yu. Kotova ◽  
Aleksandra A. Savina ◽  
Elena G. Khaikina
Keyword(s):  
Crystal Structure ◽  
Solid State ◽  
Powder Diffraction ◽  
Diffraction Data ◽  
Three Dimensional ◽  
Polycrystalline Sample ◽  
Powder Diffraction Data ◽  
Structural Refinement ◽  
X Ray ◽  
Triple Molybdate

A polycrystalline sample of a new triple molybdate AgMg3Ga(MoO4)5 was obtained by solid-state reaction techniques. Structural refinement based on X-ray powder diffraction data showed that the crystal structure is isotypic with NaMg3In(MoO4)5 (sp. gr. P$\bar 1$). In the structure pairs of edge-shared (Mg, Ga)O6,  octahedra are connected by common vertices to form a three-dimensional framework. Large framework cavities involve Ag+ cations. The title compound was found to melt at 1079 K.

X-ray powder diffraction data for Ba2Cu3PrO6.96±0.01

1995 ◽  
Vol 10 (3) ◽  
pp. 207-209 ◽  
Author(s):  
V. E. Lamberti ◽  
M. A. Rodriguez ◽  
A. Navrotsky
Keyword(s):  
Solid State ◽  
Diffraction Pattern ◽  
Powder Diffraction ◽  
Diffraction Data ◽  
Solid State Reaction ◽  
Title Compound ◽  
Iodometric Titration ◽  
Powder Diffraction Data ◽  
Orthorhombic Space Group ◽  
X Ray

The X-ray powder diffraction pattern for the title compound is reported in the range 5 ≤ 2θ ≤ 125°. The sample was prepared through solid-state reaction of BaCO3, CuO, and Pr6O11, and characterized with respect to oxygen content through iodometric titration. Refined parameters for the orthorhombic (space group Pmmm) unit cell are a = 3.8587(2) Å; b = 3.9302(1) Å; c= 11.7126(3) Å; a/b = 0.98181(6); a/c = 0.32945(2); b/c = 0.33555(1); Z = 1; Dx = 6.705(2) Mg m−3; V = 177.62(1) Å3; formula wt. = 717.48(16) g mol−1; SS/FOM: F30 = 48(0.005,127).

Refinement of Structural Parameters for Polycrystalline CdSb2O6: A Comparison of Two Methods

1988 ◽  
Vol 3 (4) ◽  
pp. 219-221 ◽  
Author(s):  
A. Castro ◽  
I. Rasines ◽  
M.C. Sánchez-Martos ◽  
P. García-Casado
Keyword(s):  
Solid State ◽  
Least Squares ◽  
Powder Diffraction ◽  
Diffraction Data ◽  
Solid State Reaction ◽  
Structural Parameters ◽  
Optimization Technique ◽  
Powder Diffraction Data ◽  
Crystalline Powder ◽  
X Ray

AbstractTrigonal CdSb2O6, prepared as a very crystalline powder by solid state reaction of CdO and Sb2O3, is isostructural with PbSb2O6 Space Group (S.G.) P31m (162), with a = 5.2399(2), c = 4.8045(4) Å, Z = 1 and Dc = 6.57 Mg.m−3. For the refinement of structural parameters from X-ray powder diffraction data two different methods have been employed and compared, both leading to very similar results. The refinements converged to RI = 0.025 using 35 intensities in the incremental optimization technique and to RF = 0.038, RW = 0.033 from 161 reflections in the least-squares refinement.

Crystal and X-Ray Powder Data for Three Orthovanadates M Th2 (VO4)3 (M = K, Rb, Cs)

1989 ◽  
Vol 4 (3) ◽  
pp. 165-167 ◽  
Author(s):  
A. Elfakir ◽  
J.P. Souron ◽  
M. Quartern
Keyword(s):  
Solid State ◽  
Single Crystals ◽  
Powder Diffraction ◽  
Diffraction Data ◽  
Solid State Reaction ◽  
Monoclinic Space Group ◽  
Powder Diffraction Data ◽  
Unit Cell Parameters ◽  
X Ray ◽  
Cell Parameters

AbstractThree isotopic orthovanadates MTh2 (VO4)3 with M = K, Rb, Cs have been syndiesized by solid state reaction. Single crystals of K Th2 (VO4)3 and Rb Th2 (VO4)3 were obtained. These compounds are isotypic with the corresponding orthophosphates: monoclinic, space group C2/c, Z = 4. Unit-cell parameters for die diree compounds were determined. Powder diffraction data for each phase are reported.

Crystal structures of a solvated and unsolvated sulfone cyclic oligomer

1999 ◽  
Vol 32 (1) ◽  
pp. 15-20 ◽  
Author(s):  
J. A. Kaduk ◽  
P. J. Cahill ◽  
L. N. Venkateshwaran
Keyword(s):  
Molecular Weight ◽  
Solid State ◽  
Bisphenol A ◽  
Powder Diffraction ◽  
Diffraction Data ◽  
Molecular Conformation ◽  
Stacking Interactions ◽  
Powder Diffraction Data ◽  
Molecular Conformations ◽  
X Ray

The structure of the DMSO (dimethyl sulfoxide) solvate of the macrocyclic [2+2] dimer, 17,17,37,37-tetramethyl-2,12,22,32-tetraoxa-7,27-dithianonacyclo[36.2.2.2^{3,6}.-2^{8,11}.2^{13,16} .2^{18,21} .2^{23,26} .2^{28,31} .2^{33,36} ]hexapentaconta-3,5,8,-10,13,15,18,20,23,25,28,30,33,35,38,40,41,43,45,47,49,51,53,55-tetracosaene 7,7,27,27-tetraoxide, formed from 4,\!4'-dichlorodiphenyl sulfone and bisphenol-A has been determined by single-crystal techniques and the structure of the unsolvated dimer refined using X-ray powder diffraction data. The molecular conformations are similar and phenyl–phenyl stacking interactions are apparently important in determining the molecular conformation in the solid state. {\rm C_{54}H_{44}O_8S_2} .{\rm C_2H_6OS} (1)cyclo-[p\hbox{-}{\rm C_6H_4)SO_2(}p\hbox{-}{\rm C_6H_4)O(}p{\rm \hbox{-}C_6H_4){\rm C(CH_3)_2(}p{\rm \hbox{-} {\rm C_6H_4)O]_2}.{\rm C_2H_6OS}: molecular weight 963.2, monoclinic, P2_1/c,a=9.702  (2), b=18.623  (3), c=13.676  (2) Å, \beta =91.18 (1)^\circ , V=2470.5  (7) Å^3,Z=2 .{\rm C_{54}H_{44}O_8S_2} (2),cyclo-[(p{\rm \hbox{-} C_6H_4)SO_2(}p{\rm \hbox{-} {\rm C_6H_4)O(}p{\rm \hbox{-} C_6H_4)C(CH_3)_2(}p{\rm \hbox{-} {\rm C_6H_4)O]_2} : molecular weight 885.06, monoclinic, P2_1/c , a=9.5703  (15), b=18.7582  (18), c=13.3945  (12) Å, \beta =92.684 (11)^\circ , V=2402.0  (5) Å^3,Z=2 .

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