Materials Data on La2WO6 by Materials Project

Abstract

La2WO6 crystallizes in the monoclinic P2/c space group. The structure is three-dimensional. there are three inequivalent La3+ sites. In the first La3+ site, La3+ is bonded in a 8-coordinate geometry to eight O2- atoms. There are a spread of La–O bond distances ranging from 2.41–2.72 Å. In the second La3+ site, La3+ is bonded in a 7-coordinate geometry to seven O2- atoms. There are a spread of La–O bond distances ranging from 2.39–2.59 Å. In the third La3+ site, La3+ is bonded in a 8-coordinate geometry to eight O2- atoms. There are a spread of La–O bond distances ranging from 2.46–2.67 Å. W6+ is bonded in a distorted octahedral geometry to six O2- atoms. There are a spread of W–O bond distances ranging from 1.89–2.12 Å. There are six inequivalent O2- sites. In the first O2- site, O2- is bonded to three La3+ and one W6+ atom to form a mixture of distorted edge and corner-sharing OLa3W tetrahedra. In the second O2- site, O2- is bonded in a distorted trigonal non-coplanar geometry to two La3+ and one W6+ atom. In the third O2- site, O2- is bonded to three La3+ and one W6+ atom to form distorted corner-sharing OLa3W tetrahedra. In the fourth O2- site, O2- is bonded in a 4-coordinate geometry to three La3+ and one W6+ atom. In the fifth O2- site, O2- is bonded in a 3-coordinate geometry to two La3+ and one W6+ atom. In the sixth O2- site, O2- is bonded in a distorted trigonal non-coplanar geometry to two La3+ and one W6+ atom.