Crystal and X-ray powder diffraction data for orthorhombic BaNd2Mn2O7 phase

1997 ◽  
Vol 12 (2) ◽  
pp. 103-105 ◽  
Author(s):  
Shunkichi Ueno ◽  
Naoki Kamegashira
Keyword(s):  
Rietveld Refinement ◽  
Powder Diffraction ◽  
Diffraction Data ◽  
Lattice Parameters ◽  
Powder Diffraction Data ◽  
Space Group ◽  
X Ray

A Rietveld refinement of X-ray powder diffraction data for orthorhombic BaNd2Mn2O7 is reported. The refined lattice parameters were a=0.5517(5), b=0.5482(3), and c=2.0585(7) nm with space group Fmmm (No. 69).

X-ray powder diffraction data and Rietveld refinement for a new iodate: (LiFe1/3)(IO3)2

2002 ◽  
Vol 17 (2) ◽  
pp. 132-134
Author(s):  
Y. C. Lan ◽  
X. L. Chen ◽  
Z. Tao ◽  
A. Y. Xie ◽  
P. Z. Jiang ◽  
...  
Keyword(s):  
Rietveld Refinement ◽  
Powder Diffraction ◽  
Diffraction Data ◽  
Hexagonal Structure ◽  
Lattice Parameters ◽  
Powder Diffraction Data ◽  
Cation Site ◽  
Space Group ◽  
X Ray

The structure of a new iodate, (LiFe1/3)(IO3)2, has been determined. The new compound has a hexagonal structure with the lattice parameters a=5.4632(2) Å, c=5.0895(6) Å, Z=1. The density is 4.70 g cm−3. Rietveld refinement confirms that the compound has a space group of P63 (173). Fe and Li atoms randomly distribute on the 2a cation site.

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

Rietveld refinement of the crystal structures of hexagonal Y6Cr4+xAl43−x (x=2.57) and tetragonal YCr4−xAl8+x (x=1.22)

1995 ◽  
Vol 10 (2) ◽  
pp. 86-90 ◽  
Author(s):  
R. Černý ◽  
K. Yvon ◽  
T. I. Yanson ◽  
M. B. Manyako ◽  
O. I. Bodak
Keyword(s):  
Crystal Structures ◽  
Rietveld Refinement ◽  
Powder Diffraction ◽  
Diffraction Data ◽  
Structure Refinement ◽  
Powder Diffraction Data ◽  
Space Group ◽  
X Ray

Y6Cr4+xAl43−x (x = 2.57); space group P63/mcm, a = 10.8601(1) Å, c = 17.6783(3) Å, V= 1805.7(1) Å3, Z=2; isostructural to Yb6Cr4+xAl43−x, (x=1.76) with two aluminium sites partially occupied by chromium (44% and 27% Cr). YCr4−xAl8+x (x=1.22); space group I4/mmm, a = 9.0299(2) Å, c = 5.1208(2) Å, V=417.55(3) Å3, Z=2, disordered variant of CeMn4Al8 with one chromium site (8f) partially occupied by aluminium (33% Al); X-ray powder diffraction data were collected on a well-crystallized multiphase sample containing 43 wt.% of Y6Cr4+xAl43−x, 27 wt.% of Y2Cr8−xAl16+x, 16 wt.% of Al, 13 wt.% of YAl3, and traces of Y2O3. Structure refinement converged at Rwp = 2.0% and RB = 3.5, 3.6% resp. for a total of 78 parameters and 1190 reflections.

Notizen: Darstellung und Kristalldaten der isomorphen Kupferthio(seleno)phosphate Cu7PS6 und Cu7PSee / Preparation and Crystal Data of the Isomorphous Copperthio(seleno)phosphates Cu7PS6 and Cu7PSe6

1977 ◽  
Vol 32 (9) ◽  
pp. 1100-1101 ◽  
Author(s):  
W. F. Kuhs ◽  
M. Schulte-Kellinghaus ◽  
V. Krämer ◽  
R. Nitsche
Keyword(s):  
Thermal Decomposition ◽  
Powder Diffraction ◽  
Diffraction Data ◽  
Lattice Parameters ◽  
Crystal Data ◽  
Powder Diffraction Data ◽  
Space Group ◽  
X Ray

The title compounds were prepared by annealing the elements in stoichiometric proportions at 720 °C as well as by thermal decomposition of Cu3PS4 or Cu3PSe4. They crystallize in the space group P213 with lattice parameters a = 9.671(1) and 10.116(1) Å resp.; X-ray powder diffraction data are listed.

Powder diffraction data and Rietveld refinement of metastable t-ZrO2 at low temperature

1997 ◽  
Vol 12 (2) ◽  
pp. 96-98 ◽  
Author(s):  
J. Málek ◽  
L. Beneš ◽  
T. Mitsuhashi
Keyword(s):  
Low Temperature ◽  
Rietveld Refinement ◽  
Powder Diffraction ◽  
Diffraction Data ◽  
Unit Cell ◽  
Powder Diffraction Data ◽  
Space Group ◽  
X Ray ◽  
Cell Dimensions ◽  
Unit Cell Dimensions

Indexed X-ray powder diffraction data are reported for the low temperature tetragonal ZrO2 obtained by crystallization of zirconia gel. The structure was refined by the Rietveld technique on the basis of space group P42/nmc. Refined unit cell dimensions are a = 3.5984(5) Å, c = 5.152(1) Å, V = 66.71 Å3, Dx=6.135 g/cm3, F18=62 (0.012, 24), RP=8.99, Rwp=11.48, RB=3.13.

X-ray powder diffraction data for the Al–Ni–Pt χ-phase, Al74Ni7.2Pt18.8

2011 ◽  
Vol 26 (3) ◽  
pp. 283-284 ◽  
Author(s):  
B. Grushko ◽  
D. Kapush
Keyword(s):  
Diffraction Pattern ◽  
Powder Diffraction ◽  
Diffraction Data ◽  
Lattice Parameters ◽  
Powder Diffraction Data ◽  
Space Group ◽  
X Ray ◽  
Χ Phase

Ternary Al–Ni–Pt phase isostructural to Al28Ir9 was revealed at the Al74Ni7.2Pt18.8 composition. Its powder diffraction pattern was indexed for the space group P31c (No. 159) and lattice parameters a=12.095(8) and c= 26.922(17) Å.

Crystallographic study of PtCl2(C2H3O2)2(C6H13N)(NH3) by Rietveld refinement

2003 ◽  
Vol 18 (2) ◽  
pp. 140-143 ◽  
Author(s):  
Lingmin Zeng ◽  
Liangwei Chen ◽  
Shaoping Pu ◽  
Yikun Yang ◽  
Wenggui Gao ◽  
...  
Keyword(s):  
Crystal Structure ◽  
Rietveld Refinement ◽  
Anticancer Drug ◽  
Powder Diffraction ◽  
Diffraction Data ◽  
Powder Diffraction Data ◽  
Space Group ◽  
X Ray ◽  
Crystallographic Study

X-ray powder diffraction data for the anticancer drug PtCl2(C2H3O2)2(C6H13N)(NH3) are reported. The crystal structure of PtCl2(C2H3O2)2(C6H13N)(NH3) obtained from a Rietveld refinement are: space group P21/a, a=13.547(2) Å, b=8.260(1) Å, c=14.638(3) Å, β=110.429(2)°, V=1534.96 Å3, Z=4 and Dcalc.=2.068 Mg/m3.

X-Ray Powder Diffraction Data for the Al7Cu5Y Ternary Compound

2014 ◽  
Vol 950 ◽  
pp. 53-56
Author(s):  
Bin He ◽  
Ming Qin ◽  
Liu Qing Liang ◽  
Zhao Lu ◽  
De Gui Li ◽  
...  
Keyword(s):  
Crystal Structure ◽  
Ternary Compound ◽  
Powder Diffraction ◽  
Diffraction Data ◽  
Structure Type ◽  
The Body ◽  
Lattice Parameters ◽  
Powder Diffraction Data ◽  
Space Group ◽  
X Ray

Crystal structure and X-ray powder diffraction data for the Al7Cu5Y ternary compound are presented. The compound crystallizes in the body-centered tetragonal with the Al7Fe5Y structure type (space group I4/mmm), the lattice parameters a = 8.6960(9) Å, c = 5.1256(7) Å, V =387.62 Å3, Z =2, ڑx =5.102 g/cm3, F30 = 275.5(0.0033, 33) and RIR =1.23.

Rietveld refinement of the crystal structure of γ-Mo4O11

1999 ◽  
Vol 14 (4) ◽  
pp. 284-288 ◽  
Author(s):  
Hoong-Kun Fun ◽  
Ping Yang ◽  
Minoru Sasaki ◽  
Masasi Inoue ◽  
Hideoki Kadomatsu
Keyword(s):  
Crystal Structure ◽  
Rietveld Refinement ◽  
Powder Diffraction ◽  
Diffraction Data ◽  
Room Temperature ◽  
Rietveld Analysis ◽  
Powder Diffraction Data ◽  
Orthorhombic System ◽  
Space Group ◽  
X Ray

The crystal structure of γ-Mo4O11 was obtained at room temperature (296 K) by Rietveld analysis with X-ray powder diffraction data. The crystal belongs to orthorhombic system, space group: Pna21, Z=4, Mr=559.753 (Atomic weights 1977), Dx=4.1228 g/cm3, F(000)=1024.0, μ=451.293 cm−1 (Int. Tab. Vol. C, Table 4.2.4.2, p. 193, λ=1.540 60 Å), a=24.4756(5) Å, b=6.7516(1) Å, c=5.4572(1) Å, and V=901.80(3) Å3. The structure was refined to Rwp=5.60%, Rp=4.27%, Rb=3.36%, and Rf=2.74% for 65 parameters with 3541 step intensities and 3055 peaks. Goodness of the fit S=3.35.

Powder diffraction data for the three-layer Aurivillius ceramics Bi2Sr2−xAxNb2TiO12(A=Ca,Ba,x=0,0.5,1)

2005 ◽  
Vol 20 (1) ◽  
pp. 47-50
Author(s):  
M. S. Haluska ◽  
S. A. Speakman ◽  
S. T. Misture
Keyword(s):  
Neutron Diffraction ◽  
Powder Diffraction ◽  
Diffraction Data ◽  
Rietveld Analysis ◽  
Layered Structures ◽  
Lattice Parameters ◽  
Powder Diffraction Data ◽  
Space Group ◽  
X Ray

Powder diffraction data for five three-layer Aurivillius ceramics of the form Bi2Sr2−xAxNb2TiO12 (A=Ca,Ba,x=0,0.5,1) have been determined from specimens that were characterized using both X-ray and neutron diffraction. Full Rietveld analysis demonstrated that the crystals were all tetragonal (space group I4∕mmm, #139), with highly aniostropic layered structures with lattice parameters on the order of a=3.9 Å and c=33 Å, and densities on the order of 7 g∕cm3

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