Materials Data on RbMg6Mn by Materials Project

Abstract

RbMg6Mn crystallizes in the orthorhombic Amm2 space group. The structure is three-dimensional. Rb is bonded to ten Mg and two equivalent Mn atoms to form a mixture of face and corner-sharing RbMg10Mn2 cuboctahedra. There are a spread of Rb–Mg bond distances ranging from 3.27–3.64 Å. Both Rb–Mn bond lengths are 3.54 Å. There are four inequivalent Mg sites. In the first Mg site, Mg is bonded in a 1-coordinate geometry to two equivalent Rb, one Mg, and one Mn atom. The Mg–Mg bond length is 3.32 Å. The Mg–Mn bond length is 2.67 Å. In the second Mg site, Mg is bonded in a 10-coordinate geometry to eight Mg and two equivalent Mn atoms. There are two shorter (3.18 Å) and four longer (3.25 Å) Mg–Mg bond lengths. Both Mg–Mn bond lengths are 3.35 Å. In the third Mg site, Mg is bonded in a 3-coordinate geometry to two equivalent Rb, two equivalent Mg, and two equivalent Mn atoms. Both Mg–Mn bond lengths are 2.96 Å. In the fourth Mg site, Mg is bonded in a 2-coordinate geometry to two equivalent Rb and two equivalent Mg atoms. Mn is bonded in a 10-coordinate geometry to two equivalent Rb and eight Mg atoms.