Ab-initio structure determination of {beta}-La{sub 2}WO{sub 6}

The structure of the low-temperature form of {beta}-La{sub 2}WO{sub 6} has been determined from laboratory X-ray, neutron time-of-flight and electron diffraction data. This tungstate crystallizes in the non-centrosymmetric orthorhombic space group (no. 19) P2{sub 1}2{sub 1}2{sub 1}, with Z=8, a=7.51...

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Bibliographic Details
Published in:Journal of solid state chemistry 2009-02, Vol.182 (2)
Main Authors: Chambrier, M-H., Kodjikian, S., Ibberson, R.M., Goutenoire, F.
Format: Article
Language:English
Subjects:
ELECTRON DIFFRACTION
ELECTRON MICROSCOPY
INORGANIC, ORGANIC, PHYSICAL AND ANALYTICAL CHEMISTRY
LANTHANUM COMPOUNDS
NEUTRON DIFFRACTION
ORTHORHOMBIC LATTICES
SPACE GROUPS
TIME-OF-FLIGHT METHOD
TUNGSTATES
TUNGSTEN
X-RAY DIFFRACTION
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Summary:The structure of the low-temperature form of {beta}-La{sub 2}WO{sub 6} has been determined from laboratory X-ray, neutron time-of-flight and electron diffraction data. This tungstate crystallizes in the non-centrosymmetric orthorhombic space group (no. 19) P2{sub 1}2{sub 1}2{sub 1}, with Z=8, a=7.5196(1) A, b=10.3476(1) A, c=12.7944(2) A, and a measured density 7.37(1) g cm{sup -3}. The structure consists of tungsten [WO{sub 6}] octahedra and tetrahedral [OLa{sub 4}]. Tungsten polyhedra are connected such that [W{sub 2}O{sub 11}]{sup 10-} units are formed. - Graphical abstract: Projection of La{sub 2}WO{sub 6} structure along [100]. The structure could be described by [W{sub 2}O{sub 11}]{sup -10} structural unit formed by two corner-sharing octahedra.
ISSN:0022-4596
1095-726X
DOI:10.1016/j.jssc.2008.09.010