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.

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.

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).

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 and Powder X-Ray Diffraction Data for TlBeXO4 (X = P, As)

1992 ◽  
Vol 7 (1) ◽  
pp. 44-46 ◽  
Author(s):  
G. Wallez ◽  
A. Elfakir ◽  
M. Quartern
Keyword(s):  
Solid State ◽  
Powder Diffraction ◽  
Diffraction Data ◽  
Solid State Reaction ◽  
Powder Diffraction Data ◽  
X Ray Diffraction ◽  
Unit Cell Parameters ◽  
X Ray ◽  
Cell Parameters ◽  
New Compounds

AbstractTwo new compounds TlBeXO4 (X = P, As) have been synthesized by solid state reaction. Single crystals were obtained. These compounds are isotypic, space group Pna21, Z = 4. Unit-cell parameters were determined. Powder diffraction data for each phase are reported.

X-Ray Powder Diffraction Data for AITh2(VO4)3Compounds with AI= Li, Na, Ag

1990 ◽  
Vol 5 (4) ◽  
pp. 219-220 ◽  
Author(s):  
A. Elfakir ◽  
J.P. Souron ◽  
M. Quarton
Keyword(s):  
Solid State ◽  
Single Crystals ◽  
Powder Diffraction ◽  
Diffraction Data ◽  
Solid State Reaction ◽  
Powder Diffraction Data ◽  
Unit Cell Parameters ◽  
X Ray ◽  
Cell Parameters ◽  
Zircon Type

AbstractThree orthovanadates ATh2(VO4)3with A = Li, Na, Ag have been synthesized by solid state reaction. Single crystals of AgTh2(VO4)3were obtained. This compound is isotypic with sheelite whose space group is I41/a(88). The two other compounds (A = Li, Na) have a zircon type structure: I41/ amd(141). Unit-cell parameters and powder diffraction data for the three compounds are reported.

Powder diffraction data on BaClI and BaBrI

2002 ◽  
Vol 17 (4) ◽  
pp. 331-335 ◽  
Author(s):  
A. Jestin Lenus ◽  
D. Sornadurai ◽  
K. Govinda Rajan ◽  
B. Purniah
Keyword(s):  
Solid State ◽  
Powder Diffraction ◽  
Diffraction Data ◽  
Solid State Reaction ◽  
Careful Analysis ◽  
Powder Diffraction Data ◽  
Orthorhombic Structure ◽  
Reaction Route ◽  
X Ray ◽  
Solid State Reaction Route

The two mixed halides of barium, barium chloroiodide and barium bromoiodide, were synthesized via a solid-state reaction route. In this article, their powder XRD data are reported. A careful analysis of the X-ray data shows that both BaClI and BaBrI crystallize in the orthorhombic structure. The lattice parameters obtained are a=17.841±0.003 Å, b=8.441±0.001 Å and c=5.642±0.001 Å for BaClI (SG. Pbam, No. 55) and a=13.667±0.002 Å, b=12.012±0.001 Å and c=10.871±0.002 Å for BaBrI (SG. P2221 No. 17).

X-ray powder diffraction data of AII(ZnXVO4)2 compounds (A=Sr, Ba; X=P, As)

1999 ◽  
Vol 14 (3) ◽  
pp. 222-230 ◽  
Author(s):  
F. Lucas ◽  
A. Elfakir ◽  
M. Quarton
Keyword(s):  
High Pressure ◽  
Solid State ◽  
General Formula ◽  
Powder Diffraction ◽  
Diffraction Data ◽  
Solid State Reaction ◽  
Powder Diffraction Data ◽  
Hydrothermal Conditions ◽  
X Ray ◽  
Pressure Form

Two new arsenates with general formula AII(ZnAsO4)2 (A=Sr, Ba) were synthetized by solid state reaction. Furthermore, a high pressure form of Ba(ZnPO4)2 was obtained under hydrothermal conditions. Indexing of their X-ray diffractograms was carried out with a monoclinic unit-cell and space group P21/c. These compounds are isostructural with Sr(ZnPO4)2 and the paracelsian form of Ba(AlSiO4)2.

Rietveld Refinement of the BaTiO3 from X-Ray Powder Diffraction

2009 ◽  
Vol 79-82 ◽  
pp. 593-596
Author(s):  
Feng Sun ◽  
Yan Sheng Yin
Keyword(s):  
Rietveld Refinement ◽  
Powder Diffraction ◽  
Diffraction Data ◽  
Rietveld Method ◽  
Structural Parameters ◽  
Ferroelectric Ceramic ◽  
Powder Diffraction Data ◽  
Ceramic Powders ◽  
Space Group ◽  
X Ray

The ferroelectric ceramic BaTiO3 was synthesized at 1000 °C for 5 h. The structure of the system under study was refined on the basis of X-ray powder diffraction data using the Rietveld method. The system crystallizes in the space group P4mm（99）. The refinement of instrumental and structural parameters led to reliable values for the Rp, Rwp and Rexp.We use the TOPAS software of Bruker AXS to refine this ceramic powders and show its conformation

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.

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