Materials Data on Rb3Te(PO7)2 by Materials Project

Abstract

Rb3Te(PO7)2 crystallizes in the monoclinic P2_1/c space group. The structure is three-dimensional. there are two inequivalent Rb sites. In the first Rb site, Rb is bonded in a distorted q6 geometry to ten O atoms. There are a spread of Rb–O bond distances ranging from 3.03–3.35 Å. In the second Rb site, Rb is bonded in a 8-coordinate geometry to eight O atoms. There are a spread of Rb–O bond distances ranging from 2.91–3.24 Å. P is bonded in a tetrahedral geometry to four O atoms. There is three shorter (1.54 Å) and one longer (1.55 Å) P–O bond length. 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. There are seven inequivalent O sites. In the first O site, O is bonded in a single-bond geometry to two Rb and one P atom. In the second O site, O is bonded in a distorted single-bond geometry to two Rb and one P atom. In the third O site, O is bonded in a single-bond geometry to one Rb and one P atom. In the fourth O site, O is bonded in a distorted single-bond geometry to two Rb and one Te atom. In the fifth O site, O is bonded in a 1-coordinate geometry to two Rb and one Te atom. In the sixth O site, O is bonded in a distorted trigonal non-coplanar geometry to two equivalent Rb and one Te atom. In the seventh O site, O is bonded in a single-bond geometry to two Rb and one P atom.