Materials Data on RbMg6Ga by Materials Project

Abstract

RbMg6Ga crystallizes in the orthorhombic Amm2 space group. The structure is three-dimensional. Rb is bonded to ten Mg and two equivalent Ga atoms to form a mixture of corner and face-sharing RbMg10Ga2 cuboctahedra. There are a spread of Rb–Mg bond distances ranging from 3.35–3.40 Å. Both Rb–Ga bond lengths are 3.49 Å. There are four inequivalent Mg sites. In the first Mg site, Mg is bonded in a 3-coordinate geometry to two equivalent Rb, two equivalent Mg, and one Ga atom. Both Mg–Mg bond lengths are 3.33 Å. The Mg–Ga bond length is 3.13 Å. In the second Mg site, Mg is bonded in a 4-coordinate geometry to two equivalent Rb, two equivalent Mg, and two equivalent Ga atoms. There are one shorter (3.30 Å) and one longer (3.45 Å) Mg–Mg bond lengths. Both Mg–Ga bond lengths are 3.15 Å. In the third Mg site, Mg is bonded in a 2-coordinate geometry to two equivalent Rb and two equivalent Mg atoms. Both Mg–Mg bond lengths are 3.49 Å. In the fourth Mg site, Mg is bonded in a 12-coordinate geometry to ten Mg and two equivalent Ga atoms. Both Mg–Ga bond lengths are 3.41 Å. Ga is bonded in a 10-coordinate geometry to two equivalent Rb and eight Mg atoms.