Materials Data on Sr3MgO4 by Materials Project

Abstract

Sr3MgO4 crystallizes in the orthorhombic Cmmm space group. The structure is three-dimensional. there are two inequivalent Sr2+ sites. In the first Sr2+ site, Sr2+ is bonded in a 4-coordinate geometry to six O2- atoms. There are four shorter (2.41 Å) and two longer (3.05 Å) Sr–O bond lengths. In the second Sr2+ site, Sr2+ is bonded in a square co-planar geometry to four equivalent O2- atoms. All Sr–O bond lengths are 2.54 Å. Mg2+ is bonded in a square co-planar geometry to four equivalent O2- atoms. All Mg–O bond lengths are 2.16 Å. There are two inequivalent O2- sites. In the first O2- site, O2- is bonded in a 4-coordinate geometry to four Sr2+ and two equivalent Mg2+ atoms. In the second O2- site, O2- is bonded in a square co-planar geometry to four equivalent Sr2+ atoms.