Please use this identifier to cite or link to this item: http://hdl.handle.net/1942/2731
Title: Structure determination and refinement of acid strontium oxalate from X-ray and neutron powder diffraction
Authors: VANHOYLAND, Geert 
Bouree, F
VAN BAEL, Marlies 
MULLENS, Jules 
VAN POUCKE, Lucien 
Issue Date: 2001
Publisher: ACADEMIC PRESS INC
Source: JOURNAL OF SOLID STATE CHEMISTRY, 157(2). p. 283-288
Abstract: The structure of acid strontium oxalate Sr(HC2O4) . 1/2(C2O4) . H2O has been determined by conventional X-ray powder diffractometry, The diffraction pattern was indexed from a monoclinic unit cell with cell parameters a = 6.341(1) Angstrom, b = 16.880(2) Angstrom, c = 5.7798(8) Angstrom, and beta = 97.60(1)degrees; space group, P2(1)/n (No. 14) with Z = 4. Final (isotropic) Rietveld refinement of the neutron powder data yielded R-B = 4.57%, R-F = 2.87%, and R-WP = 7.87% as conventional Rietveld parameters. Strontium is eight-fold coordinated and can be described as a distorted bicapped trigonal prism. The SrO8 polyhedra form one-dimensional chains along the c-axis bf sharing edges, In contrast to all other known strontium oxalates, in this compound H2O acts as bridging ligand between two Sr atoms, SDPD-D classification (1): Sr(HC2O4)-1/2(C2O4)-H2O, P2(1)/n, C1=14, Nc = 42, C2 = 11, XC1 + N/TREOR-97 & DICVOL-91, EXTRA, EQUI, SIRPOW-92 (DM), GFOURIER, FULLPROF, (C) 2001 Academic Press.
Notes: Limburgs Univ Ctr, IMO, Lab Inorgan & Phys Chem, B-3590 Diepenbeek, Belgium. CEA Saclay, CNRS, Leon Brillouin Lab, F-91191 Gif Sur Yvette, France.Vanhoyland, G, Limburgs Univ Ctr, IMO, Lab Inorgan & Phys Chem, Univ Campus, B-3590 Diepenbeek, Belgium.
Keywords: X-ray powder diffraction; neutron powder diffraction; oxalate; structure determination; Rietveld refinement
Document URI: http://hdl.handle.net/1942/2731
ISSN: 0022-4596
e-ISSN: 1095-726X
DOI: 10.1006/jssc.2000.9057
ISI #: 000167791600006
Category: A1
Type: Journal Contribution
Validations: ecoom 2002
Appears in Collections:Research publications

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