Materials Data on La2Te6WO18 by Materials Project

Abstract

La2WTe6O18 crystallizes in the trigonal P3c1 space group. The structure is two-dimensional and consists of two La2WTe6O18 sheets oriented in the (0, 0, 1) direction. there are two inequivalent La3+ sites. In the first La3+ site, La3+ is bonded in a 10-coordinate geometry to ten O2- atoms. There are a spread of La–O bond distances ranging from 2.50–3.03 Å. In the second La3+ site, La3+ is bonded in a 10-coordinate geometry to ten O2- atoms. There are a spread of La–O bond distances ranging from 2.51–2.98 Å. W6+ is bonded in a tetrahedral geometry to four O2- atoms. All W–O bond lengths are 1.83 Å. There are two inequivalent Te4+ sites. In the first Te4+ site, Te4+ is bonded in a 4-coordinate geometry to four O2- atoms. There are a spread of Te–O bond distances ranging from 1.90–2.21 Å. In the second Te4+ site, Te4+ is bonded in a distorted rectangular see-saw-like geometry to four O2- atoms. There are a spread of Te–O bond distances ranging from 1.87–2.18 Å. There are eight inequivalent O2- sites. In the first O2- site, O2- is bonded in a distorted trigonal planar geometry to one La3+ and three equivalent Te4+ atoms. In the second O2- site, O2- is bonded in a 1-coordinate geometry to two La3+ and one W6+ atom. In the third O2- site, O2- is bonded in a 3-coordinate geometry to two La3+ and one Te4+ atom. In the fourth O2- site, O2- is bonded in a 3-coordinate geometry to two La3+ and one Te4+ atom. In the fifth O2- site, O2- is bonded in a distorted bent 150 degrees geometry to two equivalent Te4+ atoms. In the sixth O2- site, O2- is bonded in a distorted single-bond geometry to one W6+ atom. In the seventh O2- site, O2- is bonded in a 2-coordinate geometry to two equivalent Te4+ atoms. In the eighth O2- site, O2- is bonded in a distorted trigonal planar geometry to one La3+ and three equivalent Te4+ atoms.