DOI: 10.17188/1705909
title: Materials Data on La2Te(Mo3O22)2 by Materials Project

description: La2Te(Mo3O22)2 crystallizes in the triclinic P-1 space group. The structure is two-dimensional and consists of one La2Te(Mo3O22)2 sheet oriented in the (0, 0, 1) direction. La is bonded in a 5-coordinate geometry to eight O atoms. There are a spread of La–O bond distances ranging from 2.25–3.25 Å. There are three inequivalent Mo sites. In the first Mo site, Mo is bonded in a 4-coordinate geometry to six O atoms. There are a spread of Mo–O bond distances ranging from 1.71–2.59 Å. In the second Mo site, Mo is bonded in a 6-coordinate geometry to six O atoms. There are a spread of Mo–O bond distances ranging from 1.72–2.55 Å. In the third Mo site, Mo is bonded in a 6-coordinate geometry to six O atoms. There are a spread of Mo–O bond distances ranging from 1.71–2.27 Å. Te is bonded in an octahedral geometry to six O atoms. There are a spread of Te–O bond distances ranging from 1.94–2.09 Å. There are twenty-two inequivalent O sites. In the first O site, O is bonded in a 4-coordinate geometry to two Mo, one Te, and one O atom. The O–O bond length is 1.42 Å. In the second O site, O is bonded in a distorted trigonal non-coplanar geometry to two Mo and one Te atom. In the third O site, O is bonded in a bent 120 degrees geometry to two Mo atoms. In the fourth O site, O is bonded in a bent 120 degrees geometry to two Mo atoms. In the fifth O site, O is bonded in a bent 150 degrees geometry to one La and one Mo atom. In the sixth O site, O is bonded in a single-bond geometry to one Mo atom. In the seventh O site, O is bonded in a trigonal non-coplanar geometry to two Mo and one Te atom. In the eighth O site, O is bonded in a trigonal planar geometry to two Mo and one O atom. The O–O bond length is 1.38 Å. In the ninth O site, O is bonded in a single-bond geometry to one Mo atom. In the tenth O site, O is bonded in a single-bond geometry to one Mo atom. In the eleventh O site, O is bonded in a bent 150 degrees geometry to one La and one Mo atom. In the twelfth O site, O is bonded in a single-bond geometry to one Mo atom. In the thirteenth O site, O is bonded in a bent 120 degrees geometry to one La and one O atom. The O–O bond length is 1.39 Å. In the fourteenth O site, O is bonded in a bent 120 degrees geometry to two O atoms. The O–O bond length is 1.27 Å. In the fifteenth O site, O is bonded in a distorted bent 150 degrees geometry to one La and one O atom. In the sixteenth O site, O is bonded in a bent 150 degrees geometry to one La and one O atom. The O–O bond length is 1.23 Å. In the seventeenth O site, O is bonded in a bent 150 degrees geometry to one La and one O atom. In the eighteenth O site, O is bonded in a distorted bent 150 degrees geometry to one La and one O atom. The O–O bond length is 1.23 Å. In the nineteenth O site, O is bonded in a distorted single-bond geometry to one La and one O atom. The O–O bond length is 1.23 Å. In the twentieth O site, O is bonded in a single-bond geometry to one O atom. In the twenty-first O site, O is bonded in a single-bond geometry to one O atom. In the twenty-second O site, O is bonded in a single-bond geometry to one O atom.