Ab-initio structure determination of β-La2WO6

The structure of the low-temperature form of beta-La2WO6 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(1)2(1)2(1), with Z = 8, a = 7.5196(1) angstrom, b = 10.3476(1) angstrom, c = 12,7944(2) angstrom, and a measured density 7.37(1) g cm(-3). The structure consists of tungsten [WO6] octahedra and tetrahedral [OLa4]. Tungsten polyhedra are connected such that [W2O11](10-) units are formed. (C) 2008 Elsevier Inc. All rights reserved.