Materials Data on Sr2WO5 by Materials Project

Abstract

Sr2WO5 crystallizes in the orthorhombic Pnma space group. The structure is three-dimensional. there are two inequivalent Sr2+ sites. In the first Sr2+ site, Sr2+ is bonded in a 10-coordinate geometry to ten O2- atoms. There are a spread of Sr–O bond distances ranging from 2.47–3.06 Å. In the second Sr2+ site, Sr2+ is bonded in a 10-coordinate geometry to ten O2- atoms. There are a spread of Sr–O bond distances ranging from 2.53–3.04 Å. W6+ is bonded to six O2- atoms to form corner-sharing WO6 octahedra. The corner-sharing octahedral tilt angles are 0°. There are a spread of W–O bond distances ranging from 1.87–2.07 Å. There are four inequivalent O2- sites. In the first O2- site, O2- is bonded in a 1-coordinate geometry to four Sr2+ and one W6+ atom. In the second O2- site, O2- is bonded in a distorted linear geometry to four Sr2+ and two equivalent W6+ atoms. In the third O2- site, O2- is bonded in a 5-coordinate geometry to four Sr2+ and one W6+ atom. In the fourth O2- site, O2- is bonded in a 5-coordinate geometry to four Sr2+ and one W6+ atom.