Materials Data on RbMg6Si by Materials Project

Abstract

RbMg6Si crystallizes in the orthorhombic Amm2 space group. The structure is three-dimensional. Rb is bonded in a 10-coordinate geometry to eight Mg and two equivalent Si atoms. There are a spread of Rb–Mg bond distances ranging from 3.48–3.61 Å. Both Rb–Si bond lengths are 3.57 Å. There are four inequivalent Mg sites. In the first Mg site, Mg is bonded in a 1-coordinate geometry to two equivalent Rb, two equivalent Mg, and one Si atom. Both Mg–Mg bond lengths are 3.23 Å. The Mg–Si bond length is 2.76 Å. In the second Mg site, Mg is bonded in a 6-coordinate geometry to six Mg atoms. All Mg–Mg bond lengths are 3.14 Å. In the third Mg site, Mg is bonded in a distorted water-like geometry to one Rb, two equivalent Mg, and two equivalent Si atoms. Both Mg–Si bond lengths are 2.84 Å. In the fourth Mg site, Mg is bonded in a 8-coordinate geometry to two equivalent Rb and six Mg atoms. Si is bonded in a 8-coordinate geometry to two equivalent Rb and six Mg atoms.