Materials Data on SrP2(HO4)2 by Materials Project

Abstract

SrP2(HO4)2 crystallizes in the triclinic P-1 space group. The structure is three-dimensional. Sr is bonded in a 9-coordinate geometry to nine O atoms. There are a spread of Sr–O bond distances ranging from 2.56–3.01 Å. There are two inequivalent P sites. In the first P site, 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. 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 1.51–1.61 Å. There are two inequivalent H sites. In the first H site, H is bonded in a linear geometry to two O atoms. There is one shorter (1.01 Å) and one longer (1.56 Å) H–O bond length. In the second H site, H is bonded in a distorted single-bond geometry to one O atom. The H–O bond length is 1.00 Å. There are eight inequivalent O sites. In the first O site, O is bonded in a distorted single-bond geometry to two equivalent Sr and one P atom. In the second O site, O is bonded in a distorted bent 120 degrees geometry to one Sr, one P, and one H atom. In the third O site, O is bonded in a distorted single-bond geometry to one Sr and one P atom. In the fourth O site, O is bonded in a distorted bent 150 degrees geometry to one P and one H atom. In the fifth O site, O is bonded in a distorted single-bond geometry to two equivalent Sr and one P atom. In the sixth O site, O is bonded in a distorted bent 150 degrees geometry to one Sr and one P atom. In the seventh O site, O is bonded in a distorted single-bond geometry to one Sr and one P atom. In the eighth O site, O is bonded in a distorted bent 120 degrees geometry to one Sr, one P, and one H atom.