Materials Data on Sr(BO4)2 by Materials Project

Abstract

Sr(BO4)2 crystallizes in the triclinic P-1 space group. The structure is two-dimensional and consists of one Sr(BO4)2 sheet oriented in the (0, 1, 1) direction. Sr is bonded in a 8-coordinate geometry to eight O atoms. There are a spread of Sr–O bond distances ranging from 2.53–2.89 Å. There are two inequivalent B sites. In the first B site, B is bonded in a tetrahedral geometry to four O atoms. There are a spread of B–O bond distances ranging from 1.41–1.49 Å. In the second B site, B is bonded in a tetrahedral geometry to four O atoms. There are a spread of B–O bond distances ranging from 1.42–1.47 Å. There are eight inequivalent O sites. In the first O site, O is bonded in a single-bond geometry to two equivalent Sr and one B atom. In the second O site, O is bonded in a distorted bent 150 degrees geometry to one Sr and one B atom. In the third O site, O is bonded in a distorted single-bond geometry to one Sr and one B atom. In the fourth O site, O is bonded in a distorted single-bond geometry to one Sr and one B atom. In the fifth O site, O is bonded in a distorted single-bond geometry to one Sr and one B atom. In the sixth O site, O is bonded in a distorted single-bond geometry to one Sr and one B atom. In the seventh O site, O is bonded in a single-bond geometry to one B atom. In the eighth O site, O is bonded in a distorted single-bond geometry to one Sr and one B atom.