High pressure synthesis, structure solution and rietveld refinement of polycrystalline (Ba,K)VS3 from X-ray powder diffraction data

1997 ◽  
Vol 32 (12) ◽  
pp. 1673-1681 ◽  
Author(s):  
Niels Jakob Poulsen
Keyword(s):  
High Pressure ◽  
Rietveld Refinement ◽  
Powder Diffraction ◽  
Diffraction Data ◽  
Powder Diffraction Data ◽  
X Ray ◽  
High Pressure Synthesis ◽  
Structure Solution ◽  
Pressure Synthesis

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

New X-ray powder diffraction data and Rietveld refinement for Gd 2 O 3 monodispersed fine spherical particles

2003 ◽  
Vol 171 (1-2) ◽  
pp. 420-423 ◽  
Author(s):  
Ana Maria Pires ◽  
Marian Rosaly Davolos ◽  
Carlos O. Paiva-Santos ◽  
Elizabeth Berwerth Stucchi ◽  
Juliana Flor
Keyword(s):  
Rietveld Refinement ◽  
Powder Diffraction ◽  
Diffraction Data ◽  
Spherical Particles ◽  
Powder Diffraction Data ◽  
X Ray

A powder diffraction study of MIBaIn2(PO4)3 (MI=Na, K, Cs) with a langbeinite-type structure

2002 ◽  
Vol 17 (1) ◽  
pp. 1-6 ◽  
Author(s):  
D. Louër ◽  
V. Moise ◽  
M. Liégeois-Duyckaerts ◽  
A. Rulmont
Keyword(s):  
Diffraction Study ◽  
Rietveld Refinement ◽  
Powder Diffraction ◽  
Diffraction Data ◽  
Type Structure ◽  
Monochromatic Radiation ◽  
Powder Diffraction Data ◽  
Asymmetric Unit ◽  
X Ray ◽  
Cell Parameters

Three phosphates, MIBaIn2(PO4)3 with MI=Na, K, Cs, isostructural to the langbeinite structure, have been studied from powder diffraction data collected with monochromatic radiation obtained from a conventional X-ray source. Precise powder data are reported, as well as cell parameters, i.e., a=10.026 08(9) Å, a=10.121 57(13) Å and a=10.226 94(9) Å for MI=Na, K and Cs, respectively. A Rietveld refinement has been carried out (space group P213), with final RF factors, 0.061, 0.041 and 0.027, and Rwp factors, 0.196, 0.142 and 0.129, for MI=Na, K and Cs, respectively. There are two octahedrally coordinated In3+ ions in the asymmetric unit and the final refinements suggest disorder on the two sites of the MI/Ba sublattice.

scholarly journals Crystal structure solution of an elusive polymorph of Dibenzylsquaramide

2013 ◽  
Vol 28 (S2) ◽  
pp. S470-S480 ◽  
Author(s):  
Anna Portell ◽  
Xavier Alcobé ◽  
Latévi M. Lawson Daku ◽  
Radovan Černý ◽  
Rafel Prohens
Keyword(s):  
Crystal Structure ◽  
Powder Diffraction ◽  
Diffraction Data ◽  
Structural Features ◽  
Powder Diffraction Data ◽  
Asymmetric Unit ◽  
X Ray ◽  
The Third ◽  
Group Assignment ◽  
Structure Solution

The crystal structure of the third polymorph of dibenzylsquaramide (Portell, A. et al., 2009), (fig. 1) has been determined from laboratory X-ray powder diffraction data by means of direct space methods using the computing program FOX. (Favre-Nicolin and Černý, 2002) The structure resolution has not been straightforward due to several difficulties on the indexing process and in the space group assignment. The asymmetric unit contains two different conformers, which has implied an additional difficulty during the Rietveld (Rietveld, 1969) refinement. All these issues together with particular structural features of disquaramides are discussed.

Rietveld Refinement of the Structure of TlSr2CaCu2O7by X-Ray Powder Diffraction Data

1990 ◽  
Vol 29 (Part 2, No. 1) ◽  
pp. L57-L59 ◽  
Author(s):  
Toshiya Doi ◽  
Katsuhisa Usami ◽  
Tomoichi Kamo
Keyword(s):  
Rietveld Refinement ◽  
Powder Diffraction ◽  
Diffraction Data ◽  
Powder Diffraction Data ◽  
X Ray
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