Materials Data on SrAsO4 by Materials Project

Abstract

SrAsO4 crystallizes in the triclinic P-1 space group. The structure is three-dimensional. there are eight inequivalent Sr sites. In the first Sr site, Sr is bonded in a 6-coordinate geometry to six O atoms. There are a spread of Sr–O bond distances ranging from 2.49–2.65 Å. In the second Sr site, Sr is bonded in a 6-coordinate geometry to six O atoms. There are a spread of Sr–O bond distances ranging from 2.48–2.62 Å. In the third Sr site, Sr is bonded in a 8-coordinate geometry to eight O atoms. There are a spread of Sr–O bond distances ranging from 2.49–3.13 Å. In the fourth Sr site, Sr is bonded in a 6-coordinate geometry to six O atoms. There are a spread of Sr–O bond distances ranging from 2.50–2.67 Å. In the fifth Sr site, Sr is bonded in a 8-coordinate geometry to eight O atoms. There are a spread of Sr–O bond distances ranging from 2.55–2.84 Å. In the sixth Sr site, Sr is bonded in a 8-coordinate geometry to eight O atoms. There are a spread of Sr–O bond distances ranging from 2.57–2.83 Å. In the seventh Sr site, Sr is bonded in a 8-coordinate geometry to eight O atoms. There are a spread of Sr–O bond distances ranging from 2.58–2.80 Å. In the eighth Sr site, Sr is bonded in a 8-coordinate geometry to eight O atoms. There are a spread of Sr–O bond distances ranging from 2.57–2.80 Å. There are eight inequivalent As sites. In the first As site, As is bonded in a tetrahedral geometry to four O atoms. There are a spread of As–O bond distances ranging from 1.71–1.75 Å. In the second As site, As is bonded in a tetrahedral geometry to four O atoms. There are a spread of As–O bond distances ranging from 1.71–1.74 Å. In the third As site, As is bonded in a tetrahedral geometry to four O atoms. There are a spread of As–O bond distances ranging from 1.71–1.74 Å. In the fourth As site, As is bonded in a tetrahedral geometry to four O atoms. There are a spread of As–O bond distances ranging from 1.71–1.75 Å. In the fifth As site, As is bonded in a tetrahedral geometry to four O atoms. There are a spread of As–O bond distances ranging from 1.71–1.75 Å. In the sixth As site, As is bonded in a tetrahedral geometry to four O atoms. There are a spread of As–O bond distances ranging from 1.70–1.76 Å. In the seventh As site, As is bonded in a tetrahedral geometry to four O atoms. There are a spread of As–O bond distances ranging from 1.70–1.76 Å. In the eighth As site, As is bonded in a tetrahedral geometry to four O atoms. There are a spread of As–O bond distances ranging from 1.70–1.76 Å. There are thirty-two inequivalent O sites. In the first O site, O is bonded in a distorted bent 120 degrees geometry to one Sr and one As atom. In the second O site, O is bonded in a distorted bent 120 degrees geometry to one Sr and one As atom. In the third O site, O is bonded in a distorted bent 120 degrees geometry to one Sr and one As atom. In the fourth O site, O is bonded in a distorted bent 120 degrees geometry to one Sr and one As atom. In the fifth O site, O is bonded in a 4-coordinate geometry to three Sr and one As atom. In the sixth O site, O is bonded in a 4-coordinate geometry to three Sr and one As atom. In the seventh O site, O is bonded in a 4-coordinate geometry to three Sr and one As atom. In the eighth O site, O is bonded in a 4-coordinate geometry to three Sr and one As atom. In the ninth O site, O is bonded in a distorted trigonal planar geometry to two Sr and one As atom. In the tenth O site, O is bonded in a distorted trigonal planar geometry to two Sr and one As atom. In the eleventh O site, O is bonded in a distorted trigonal planar geometry to two Sr and one As atom. In the twelfth O site, O is bonded in a distorted trigonal planar geometry to two Sr and one As atom. In the thirteenth O site, O is bonded in a 2-coordinate geometry to two Sr and one As atom. In the fourteenth O site, O is bonded in a 1-coordinate geometry to two Sr and one As atom. In the fifteenth O site, O is bonded in a 1-coordinate geometry to two Sr and one As atom. In the sixteenth O site, O is bonded in a 2-coordinate geometry to two Sr and one As atom. In the seventeenth O site, O is bonded in a 2-coordinate geometry to one Sr and one As atom. In the eighteenth O site, O is bonded in a distorted bent 120 degrees geometry to one Sr and one As atom. In the nineteenth O site, O is bonded in a distorted bent 120 degrees geometry to one Sr and one As atom. In the twentieth O site, O is bonded in a 1-coordinate geometry to two Sr and one As atom. In the twenty-first O site, O is bonded in a 3-coordinate geometry to two Sr and one As atom. In the twenty-second O site, O is bonded in a distorted trigonal non-coplanar geometry to two Sr and one As atom. In the twenty-third O site, O is bonded in a distorted trigonal non-coplanar geometry to two Sr and one As atom. In the twenty-fourth O site, O is bonded in a 3-coordinate geometry to two Sr and one As atom. In the twenty-fifth O site, O is bonded in a 1-coordinate geometry to one Sr and one As atom. In the twenty-sixth O site, O is bonded in a 1-coordinate geometry to one Sr and one As atom. In the twenty-seventh O site, O is bonded in a 1-coordinate geometry to two Sr and one As atom. In the twenty-eighth O site, O is bonded in a 1-coordinate geometry to one Sr and one As atom. In the twenty-ninth O site, O is bonded in a distorted trigonal planar geometry to two Sr and one As atom. In the thirtieth O site, O is bonded in a distorted trigonal planar geometry to two Sr and one As atom. In the thirty-first O site, O is bonded in a distorted trigonal planar geometry to two Sr and one As atom. In the thirty-second O site, O is bonded in a distorted trigonal planar geometry to two Sr and one As atom.