Materials Data on Cs2TeSO10 by Materials Project

Abstract

Cs2TeSO10 crystallizes in the monoclinic P2_1/c space group. The structure is three-dimensional. there are two inequivalent Cs sites. In the first Cs site, Cs is bonded in a 8-coordinate geometry to eight O atoms. There are a spread of Cs–O bond distances ranging from 3.03–3.51 Å. In the second Cs site, Cs is bonded in a 11-coordinate geometry to eleven O atoms. There are a spread of Cs–O bond distances ranging from 3.13–3.66 Å. There are two inequivalent Te sites. In the first Te site, Te is bonded in an octahedral geometry to six O atoms. There is four shorter (1.93 Å) and two longer (1.94 Å) Te–O bond length. In the second Te site, Te is bonded in an octahedral geometry to six O atoms. There are a spread of Te–O bond distances ranging from 1.92–1.94 Å. S is bonded in a tetrahedral geometry to four O atoms. There is two shorter (1.48 Å) and two longer (1.50 Å) S–O bond length. There are ten inequivalent O sites. In the first O site, O is bonded in a distorted single-bond geometry to two equivalent Cs and one Te atom. In the second O site, O is bonded in a distorted single-bond geometry to two equivalent Cs and one Te atom. In the third O site, O is bonded in a distorted single-bond geometry to two Cs and one Te atom. In the fourth O site, O is bonded in a single-bond geometry to one Cs and one S atom. In the fifth O site, O is bonded in a distorted single-bond geometry to two equivalent Cs and one Te atom. In the sixth O site, O is bonded in a distorted single-bond geometry to two Cs and one Te atom. In the seventh O site, O is bonded in a single-bond geometry to two Cs and one S atom. In the eighth O site, O is bonded in a distorted single-bond geometry to two Cs and one Te atom. In the ninth O site, O is bonded in a single-bond geometry to two Cs and one S atom. In the tenth O site, O is bonded in a single-bond geometry to two equivalent Cs and one S atom.