Ab-initio structure determination of β-La2WO6

The structure of the low-temperature form of β-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) P212121, with Z=8, a=7.5196(1) Å, b=10.3476(1) Å, c=12.7944(2) Å, 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.

Graphical abstractProjection of La2WO6 structure along [100]. The structure could be described by [W2O11]−10 structural unit formed by two corner-sharing octahedra.Figure optionsDownload full-size imageDownload as PowerPoint slide