Materials Data on La2TeO6 by Materials Project

Abstract

La2TeO6 crystallizes in the orthorhombic P2_12_12_1 space group. The structure is three-dimensional. there are two inequivalent La3+ sites. In the first 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 2.38–2.76 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 2.43–2.67 Å. Te6+ is bonded in an octahedral geometry to six O2- atoms. There are a spread of Te–O bond distances ranging from 1.94–1.99 Å. There are six inequivalent O2- sites. In the first O2- site, O2- is bonded in a distorted trigonal non-coplanar geometry to two equivalent La3+ and one Te6+ atom. In the second O2- site, O2- is bonded in a 3-coordinate geometry to two La3+ and one Te6+ atom. In the third O2- site, O2- is bonded in a 4-coordinate geometry to three La3+ and one Te6+ atom. In the fourth O2- site, O2- is bonded in a 3-coordinate geometry to two La3+ and one Te6+ atom. In the fifth O2- site, O2- is bonded in a 3-coordinate geometry to two La3+ and one Te6+ atom. In the sixth O2- site, O2- is bonded to three La3+ and one Te6+ atom to form distorted corner-sharing OLa3Te tetrahedra.