Materials Data on SrMg6Al by Materials Project

Abstract

SrMg6Al crystallizes in the orthorhombic Amm2 space group. The structure is three-dimensional. Sr is bonded to ten Mg and two equivalent Al atoms to form a mixture of corner and face-sharing SrMg10Al2 cuboctahedra. There are a spread of Sr–Mg bond distances ranging from 3.31–3.44 Å. Both Sr–Al bond lengths are 3.28 Å. There are four inequivalent Mg sites. In the first Mg site, Mg is bonded in a 11-coordinate geometry to two equivalent Sr, eight Mg, and one Al atom. There are a spread of Mg–Mg bond distances ranging from 3.18–3.34 Å. The Mg–Al bond length is 3.28 Å. In the second Mg site, Mg is bonded in a 12-coordinate geometry to two equivalent Sr, five Mg, and two equivalent Al atoms. There are a spread of Mg–Mg bond distances ranging from 3.01–3.31 Å. Both Mg–Al bond lengths are 3.13 Å. In the third Mg site, Mg is bonded in a 12-coordinate geometry to eight Mg and two equivalent Al atoms. Both Mg–Mg bond lengths are 3.28 Å. Both Mg–Al bond lengths are 3.29 Å. In the fourth Mg site, Mg is bonded in a 2-coordinate geometry to two equivalent Sr and eight Mg atoms. Al is bonded in a 10-coordinate geometry to two equivalent Sr and eight Mg atoms.