Materials Data on Cs2TePO10 by Materials Project

Cs2PTeO10 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 12-coordinate geometry to ten O atoms. There are a spread of Cs–O bond distances ranging from 3.14–3.68 Å. In the second 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 3.06–3.44 Å. P is bonded in a tetrahedral geometry to four O atoms. There are a spread of P–O bond distances ranging from 1.53–1.56 Å. Te is bonded in an octahedral geometry to six O atoms. There are a spread of Te–O bond distances ranging from 1.90–1.99 Å. There are ten inequivalent O sites. In the first O site, O is bonded in a distorted single-bond geometry to one Cs and one Te atom. In the second O site, O is bonded in a distorted single-bond geometry to two Cs and one Te atom. In the third O site, O is bonded in a distorted single-bond geometry to two equivalent Cs and one Te atom. In the fourth O site, O is bonded in a single-bond geometry to two Cs and one P atom. In the fifth O site, O is bonded in a single-bond geometry to three Cs and one P 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 one Cs and one P atom. In the eighth O site, O is bonded in a single-bond geometry to two Cs and one P atom. In the ninth O site, O is bonded in a distorted single-bond geometry to two Cs and one Te atom. In the tenth O site, O is bonded in a distorted single-bond geometry to one Cs and one Te atom.