Materials Data on SrMg6Ga by Materials Project

Abstract

SrMg6Ga crystallizes in the orthorhombic Amm2 space group. The structure is three-dimensional. Sr is bonded in a 12-coordinate geometry to eight Mg and two equivalent Ga atoms. There are a spread of Sr–Mg bond distances ranging from 3.38–3.56 Å. Both Sr–Ga bond lengths are 3.28 Å. There are four inequivalent Mg sites. In the first Mg site, Mg is bonded in a 1-coordinate geometry to one Sr, four Mg, and one Ga atom. There are two shorter (3.09 Å) and two longer (3.11 Å) Mg–Mg bond lengths. The Mg–Ga bond length is 2.93 Å. In the second Mg site, Mg is bonded in a 2-coordinate geometry to two equivalent Sr, six Mg, and two equivalent Ga atoms. There are a spread of Mg–Mg bond distances ranging from 3.03–3.37 Å. Both Mg–Ga bond lengths are 2.98 Å. In the third Mg site, Mg is bonded in a 2-coordinate geometry to two equivalent Sr and eight Mg atoms. Both Mg–Mg bond lengths are 3.24 Å. In the fourth Mg site, Mg is bonded in a 2-coordinate geometry to four Mg atoms. Ga is bonded in a 8-coordinate geometry to two equivalent Sr and six Mg atoms.