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Structure Determination and Refinement of Acid Strontium Oxalate from X-Ray and Neutron Powder Diffraction

✍ Scribed by G Vanhoyland; F Bourée; M.K Van Bael; J Mullens; L.C Van Poucke

Publisher
Elsevier Science
Year
2001
Tongue
English
Weight
491 KB
Volume
157
Category
Article
ISSN
0022-4596

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✦ Synopsis

The structure of acid strontium oxalate Sr(HC 2 O 4 ) ' 1 2 (C 2 O 4 ) ' H 2 O has been determined by conventional X-ray powder di4ractometry. The di4raction pattern was indexed from a monoclinic unit cell with cell parameters a ‫؍‬ 6.341(1) A > , b ‫؍‬ 16.880(2) A > , c ‫؍‬ 5.7798(8) A > , and ‫؍‬ 97.60(1)3; space group, P2 1 /n (No. 14) with Z ‫؍‬ 4. Final (isotropic) Rietveld re5nement 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 SrO 8 polyhedra form one-dimensional chains along the c-axis by sharing edges. In contrast to all other known strontium oxalates, in this compound H 2 O acts as bridging ligand between two Sr atoms. SDPD-D classi5cation (1): Sr(HC 2 O 4 )-1 2 (C 2 O 4 )-H 2 O, P 2 1 /n, C1‫؍‬ 14,

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