Ab initio structure determination of lanthanum cyclo-tetratungstate {alpha}-La
- Laboratoire des Fluorures, Faculte des sciences, Universite du Maine, Le Mans Cedex (France)
Lanthanum tungstate {alpha}-La{sub 2}W{sub 2}O{sub 9} was successfully synthesized by the ceramic route. Its crystal structure was determined ab initio from neutron diffraction data (space group P{bar 1} No. 2; a = 7.2489(1) {angstrom}, b = 7.2878(1) {angstrom}, c = 7.0435(1) {angstrom}, {alpha} = 96.367(1){degree}, {beta} = 94.715(1){degree}, {gamma} = 70.286(1){degree}; Z = 2; reliability factors: R{sub p} = 6.0%, R{sub wp} = 6.9%, R{sub B} = 3.0%). The structure exhibits isolated [W{sub 4}O{sub 18}]{sup 12{minus}} groups in the form of rings involving [WO{sub 6}] octahedra alternating with [WO{sub 5}] trigonal bipyramids sharing corners. These rings are inserted in the 3D framework built by the 9- and 10-fold coordination polyhedra of the lanthanum atoms.
- Research Organization:
- Laboratoire des Fluorures, Faculte des Sciences, Universite du Maine, Le Mans Cedex (FR)
- Sponsoring Organization:
- None (US)
- OSTI ID:
- 782920
- Journal Information:
- Journal of Solid State Chemistry, Journal Name: Journal of Solid State Chemistry Journal Issue: 1 Vol. 159; ISSN 0022-4596; ISSN JSSCBI
- Country of Publication:
- United States
- Language:
- English
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