Rietveld refinement of X-ray powder diffraction data of Ca0.925Ce0.075Mn0.9Fe0.1O3 polycrystalline material

2018 ◽  
Vol 33 (4) ◽  
pp. 303-305
Author(s):  
G. Murugesan ◽  
K. R. Nandan ◽  
S. Kalainathan
Keyword(s):  
Single Phase ◽  
Polycrystalline Material ◽  
General Structure ◽  
Sol Gel ◽  
Powder Diffraction Data ◽  
Orthorhombic Structure ◽  
X Ray Diffraction ◽  
Unit Cell Parameters ◽  
X Ray ◽  
Cell Parameters

Polycrystalline Ca0.925Ce0.075Mn0.9Fe0.1O3 were prepared by sol-gel reaction at 1073 K. The compound was analyzed by a powder X-ray diffraction technique and found to be in single phase. The unit-cell parameters and atomic positions were refined using General Structure Analysis to an orthorhombic structure with space group Pnma (#62) a = 5.281 90 (33) Å, b = 7.4968 (45) Å, and c = 5.302 90 (32) Å.

Rietveld refinement of X-ray powder diffraction data of Sm0.55Sr0.45MnO3 polycrystalline material

2015 ◽  
Vol 31 (1) ◽  
pp. 77-79 ◽  
Author(s):  
G. Murugesan ◽  
R. Nithya ◽  
S. Kalainathan
Keyword(s):  
Solid State ◽  
Single Phase ◽  
Polycrystalline Material ◽  
General Structure ◽  
Powder Diffraction Data ◽  
Orthorhombic Structure ◽  
X Ray Diffraction ◽  
X Ray ◽  
General Structure Analysis System ◽  
Analysis System

Polycrystalline Sm0.55Sr0.45MnO3 was prepared by solid-state reaction at 1300 °C. Single phase of the compound was analysed by a powder X-ray diffraction technique. The powder pattern of Sm1−xSrxMnO3 was indexed and refined using a General Structure Analysis System (GSAS) to an orthorhombic structure with space group Pnma, a = 5.4323(7), b = 7.6585(4), and c = 5.4343(7) Å.

X-ray powder diffraction data of LaNi0.5Ti0.45Co0.05O3, LaNi0.45Co0.05Ti0.5O3, and LaNi0.5Ti0.5O3 perovskites

2021 ◽  
pp. 1-6
Author(s):  
Mariana M. V. M. Souza ◽  
Alex Maza ◽  
Pablo V. Tuza
Keyword(s):  
Crystal Structure ◽  
Rietveld Method ◽  
Pechini Method ◽  
Powder Diffraction Data ◽  
X Ray Diffraction ◽  
Unit Cell Parameters ◽  
X Ray ◽  
Cell Parameters ◽  
Modified Pechini Method ◽  
Scanning Electron

In the present work, LaNi0.5Ti0.45Co0.05O3, LaNi0.45Co0.05Ti0.5O3, and LaNi0.5Ti0.5O3 perovskites were synthesized by the modified Pechini method. These materials were characterized using X-ray fluorescence, scanning electron microscopy, and powder X-ray diffraction coupled to the Rietveld method. The crystal structure of these materials is orthorhombic, with space group Pbnm (No 62). The unit-cell parameters are a = 5.535(5) Å, b = 5.527(3) Å, c = 7.819(7) Å, V = 239.2(3) Å3, for the LaNi0.5Ti0.45Co0.05O3, a = 5.538(6) Å, b = 5.528(4) Å, c = 7.825(10) Å, V = 239.5(4) Å3, for the LaNi0.45Co0.05Ti0.5O3, and a = 5.540(2) Å, b = 5.5334(15) Å, c = 7.834(3) Å, V = 240.2(1) Å3, for the LaNi0.5Ti0.5O3.

X-ray-diffraction data of Pb2(C2O4)(NO3)2·2H2O

1996 ◽  
Vol 11 (1) ◽  
pp. 7-8 ◽  
Author(s):  
Hee-Lack Choi ◽  
Nobuo Ishizawa ◽  
Naoya Enomoto ◽  
Zenbe-e Nakagawa
Keyword(s):  
Powder Diffraction ◽  
Diffraction Data ◽  
Unit Cell ◽  
Powder Diffraction Data ◽  
X Ray Diffraction ◽  
Unit Cell Parameters ◽  
X Ray ◽  
Cell Parameters ◽  
Crystal System

X-ray powder-diffraction data for Pb2(C2O4)(NO3)2·2H2O were obtained. The crystal system was determined to be monoclinic. The unit-cell parameters were refined to a=10.613(2) Å, b=7.947(2) Å, c=6.189(1) Å, and β=104.48(2)°.

Synthesis and powder X-ray diffraction data of a new iron phosphate Fe(PO4)·0.5H2O

1998 ◽  
Vol 13 (4) ◽  
pp. 246-248 ◽  
Author(s):  
Nubuo Ishizawa ◽  
Atsushi Saiki ◽  
Kyoji Ohdan ◽  
Mamoru Ai
Keyword(s):  
Water Vapor ◽  
Oxalic Acid ◽  
Powder Diffraction ◽  
Diffraction Data ◽  
Iron Phosphate ◽  
Powder Diffraction Data ◽  
X Ray Diffraction ◽  
Unit Cell Parameters ◽  
X Ray ◽  
Cell Parameters

X-ray powder-diffraction data were collected for a new iron phosphate, Fe(PO4)·0.5H2O, obtained by reducing FePO4 with oxalic acid at 220 °C in the presence of water vapor and oxygen. The crystal system was determined to be orthorhombic with unit-cell parameters a=15.991(6) Å, b=20.156(7) Å, and c=7.223(2) Å.

X-ray diffraction data of Ti2O2(C2O4)(OH)2·H2O

1994 ◽  
Vol 9 (3) ◽  
pp. 187-188 ◽  
Author(s):  
Hee-Lack Choi ◽  
Naoya Enomoto ◽  
Nobuo Ishizawa ◽  
Zenbe-e Nakagawa
Keyword(s):  
Powder Diffraction ◽  
Diffraction Data ◽  
Unit Cell ◽  
Powder Diffraction Data ◽  
X Ray Diffraction ◽  
Unit Cell Parameters ◽  
Space Group ◽  
X Ray ◽  
Cell Parameters ◽  
Crystal System

X-ray powder diffraction data for Ti2O2(C2O4)(OH)2·H2O were obtained. The crystal system was determined to be orthorhombic with space group C2221. The unit cell parameters were refined to a = 1.0503(2) nm, b = 1.5509(3) nm, and c = 0.9700(1) nm.

X-ray powder diffraction data for Mn4C

2019 ◽  
Vol 34 (2) ◽  
pp. 196-197
Author(s):  
Ping-Zhan Si ◽  
Jung Tae Lim ◽  
Jihoon Park ◽  
Chul-Jin Choi
Keyword(s):  
Diffraction Data ◽  
Unit Cell Volume ◽  
Unit Cell ◽  
Powder Diffraction Data ◽  
X Ray Diffraction ◽  
Unit Cell Parameters ◽  
X Ray ◽  
Cell Parameters ◽  
Perovskite Type ◽  
Perovskite Type Structure

We report on the X-ray diffraction data and unit-cell parameters of Mn4C, which has a cubic perovskite-type structure with a = 3.8726 Å and unit-cell volume V = 58.1 Å3. The measured lines were indexed and are consistent with the space group $ Pm { \bar {\it 3}} m$ (No. 221).

X-ray powder diffraction data of lapatinib ditosylate monohydrate

2009 ◽  
Vol 24 (3) ◽  
pp. 250-253 ◽  
Author(s):  
Peter Varlashkin
Keyword(s):  
Breast Cancer ◽  
Powder Diffraction ◽  
Diffraction Data ◽  
Room Temperature ◽  
Powder Diffraction Data ◽  
X Ray Diffraction ◽  
Unit Cell Parameters ◽  
X Ray ◽  
Cell Parameters ◽  
Diffraction Structure

The room temperature powder pattern of lapatinib ditosylate monohydrate (active ingredient in Tykerb used to treat refractory breast cancer) was indexed and the cell from the single crystal X-ray diffraction structure was refined using the experimental capillary data. Unit-cell parameters for the orthorhombic compound with space group Pbca refined from powder diffraction data are a=9.6850±0.0009 Å, b=29.364±0.003 Å, and c=30.733±0.003 Å, α=β=γ=90°, z=8, V=8740.1 Å3. Values of 2θ, d, I, and Miller indices are reported.

Synthesis and X-ray powder diffraction data for MNbF6 (M=Fe, Co) compounds

1998 ◽  
Vol 13 (3) ◽  
pp. 134-135
Author(s):  
Fabrice Goubard ◽  
Samuel Llorente ◽  
Valérie Delobbe ◽  
Daniel Bizot ◽  
Jean Chassaing
Keyword(s):  
Powder Diffraction ◽  
Diffraction Data ◽  
Unit Cell ◽  
Powder Diffraction Data ◽  
X Ray Diffraction ◽  
Unit Cell Parameters ◽  
Space Group ◽  
X Ray ◽  
Cell Parameters

X-ray diffraction experiments performed on the compounds FeIINbIVF6 and CoIINbIVF6 have shown that they crystallize in the rhombohedral system, space group R3¯ with a cationic ordering. Unit cell parameters were determined: a=5.4201(8) Å, c=14.072(2) Å, V=357.8(1) Å, Z=3 for FeNbF6, and a=5.351(2) Å, c=13.960(6) Å, V=346.2(2) Å, Z=3 for CoNbF6. Synthesis and powder diffraction data are reported.

Structure and X-ray reference diffraction patterns of (Ba6−xSrx)R2Co4O15 (x = 1, 2) (R = lanthanides)

2013 ◽  
Vol 28 (3) ◽  
pp. 212-221 ◽  
Author(s):  
W. Wong-Ng ◽  
G. Liu ◽  
Y.G. Yan ◽  
J.A. Kaduk
Keyword(s):  
General Structure ◽  
Unit Cell ◽  
X Ray Diffraction ◽  
Unit Cell Parameters ◽  
Powder Diffraction File ◽  
Coordination Environment ◽  
X Ray ◽  
Cell Parameters ◽  
Diffraction Patterns ◽  
Ray Patterns

The structure and X-ray patterns of two series of barium lanthanide cobaltates, namely, Ba4Sr2R2Co4O15 (R = La, Nd, Sm, Eu, Gd, and Dy), and Ba5SrR2Co4O15 (R = La, Nd, Sm, Eu, and Gd) have been determined. These compounds crystallize in the space group P63mc; the unit-cell parameters of Ba4Sr2R2Co4O15 (R from La to Dy) decrease from a = 11.6128(2) Å to 11. 5266(9) Å, c = 6.869 03(11) to 6. 7630(5) Å, and V = 802.23(3) Å3 to 778.17(15) Å3, respectively. In the Ba5SrR2Co4O15 series (R = La to Gd), the unit-cell parameters decrease from a = 11.735 44(14) Å to 11.619 79(12) Å, c = 6.942 89 (14) Å to 6.836 52(8) Å, and V = 828.08(3) Å3 to 799.40(2) Å3. In the general structure of (Ba6−xSrx)R2Co4O15, there are four Co ions per formula unit occupying one CoO6 octahedral and three CoO4 tetrahedral units. Through corner-sharing of these polyhedra, a larger Co4O15 unit is formed. Sr2+ ions adopt both octahedral and 8-fold coordination environment. R3+ ions adopt 8-fold coordination (mixed site with Sr), while the larger Ba2+ ions assume both 10- and 11-fold coordination environments. The samples were found to be insulators. X-ray diffraction patterns of these samples have been determined and submitted to the Powder Diffraction File (PDF).

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.

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