Materials Data on Sr3MgGeN4 by Materials Project

Abstract

Sr3GeMgN4 crystallizes in the orthorhombic Pnna space group. The structure is three-dimensional. there are two inequivalent Sr2+ sites. In the first Sr2+ site, Sr2+ is bonded in a 6-coordinate geometry to six N3- atoms. There are a spread of Sr–N bond distances ranging from 2.64–2.98 Å. In the second Sr2+ site, Sr2+ is bonded in a 4-coordinate geometry to five N3- atoms. There are a spread of Sr–N bond distances ranging from 2.61–3.06 Å. Mg2+ is bonded to four N3- atoms to form distorted MgN4 trigonal pyramids that share edges with two equivalent GeN4 tetrahedra. There are two shorter (2.10 Å) and two longer (2.15 Å) Mg–N bond lengths. Ge4+ is bonded to four N3- atoms to form GeN4 tetrahedra that share edges with two equivalent MgN4 trigonal pyramids. There is two shorter (1.92 Å) and two longer (1.95 Å) Ge–N bond length. There are two inequivalent N3- sites. In the first N3- site, N3- is bonded in a 6-coordinate geometry to four Sr2+, one Mg2+, and one Ge4+ atom. In the second N3- site, N3- is bonded in a 5-coordinate geometry to four Sr2+, one Mg2+, and one Ge4+ atom.