Materials Data on CsRbMnF6 by Materials Project

Abstract

CsRbMnF6 crystallizes in the cubic F-43m space group. The structure is three-dimensional. Cs1+ is bonded to twelve equivalent F1- atoms to form CsF12 cuboctahedra that share corners with twelve equivalent CsF12 cuboctahedra, faces with six equivalent RbF12 cuboctahedra, and faces with four equivalent MnF6 octahedra. All Cs–F bond lengths are 3.18 Å. Rb1+ is bonded to twelve equivalent F1- atoms to form RbF12 cuboctahedra that share corners with twelve equivalent RbF12 cuboctahedra, faces with six equivalent CsF12 cuboctahedra, and faces with four equivalent MnF6 octahedra. All Rb–F bond lengths are 3.18 Å. Mn4+ is bonded to six equivalent F1- atoms to form MnF6 octahedra that share faces with four equivalent CsF12 cuboctahedra and faces with four equivalent RbF12 cuboctahedra. All Mn–F bond lengths are 1.85 Å. F1- is bonded in a single-bond geometry to two equivalent Cs1+, two equivalent Rb1+, and one Mn4+ atom.