Materials Data on RbPO4 by Materials Project

Abstract

RbPO4 crystallizes in the monoclinic P2_1 space group. The structure is three-dimensional. there are two inequivalent Rb sites. In the first Rb site, Rb is bonded in a 7-coordinate geometry to seven O atoms. There are a spread of Rb–O bond distances ranging from 3.00–3.16 Å. In the second Rb site, Rb is bonded in a 7-coordinate geometry to seven O atoms. There are a spread of Rb–O bond distances ranging from 2.99–3.24 Å. There are two inequivalent P sites. In the first P site, P is bonded in a tetrahedral geometry to four O atoms. There are a spread of P–O bond distances ranging from 1.54–1.56 Å. In the second P site, P is bonded in a tetrahedral geometry to four O atoms. There are a spread of P–O bond distances ranging from 1.54–1.56 Å. There are eight inequivalent O sites. In the first O site, O is bonded in a single-bond geometry to one Rb and one P atom. In the second O site, O is bonded in a distorted single-bond geometry to two equivalent Rb and one P atom. In the third O site, O is bonded in a distorted single-bond geometry to two equivalent Rb and one P atom. In the fourth O site, O is bonded in a distorted single-bond geometry to two Rb and one P atom. In the fifth O site, O is bonded in a single-bond geometry to one Rb and one P atom. In the sixth O site, O is bonded in a distorted single-bond geometry to two equivalent Rb and one P atom. In the seventh O site, O is bonded in a distorted single-bond geometry to two Rb and one P atom. In the eighth O site, O is bonded in a distorted single-bond geometry to two equivalent Rb and one P atom.