Materials Data on Rb2ScHgF6 by Materials Project

Abstract

Rb2ScHgF6 crystallizes in the cubic Fm-3m space group. The structure is three-dimensional. Rb1+ is bonded to twelve equivalent F1- atoms to form RbF12 cuboctahedra that share corners with twelve equivalent RbF12 cuboctahedra, faces with six equivalent RbF12 cuboctahedra, faces with four equivalent ScF6 octahedra, and faces with four equivalent HgF6 octahedra. All Rb–F bond lengths are 3.28 Å. Sc2+ is bonded to six equivalent F1- atoms to form ScF6 octahedra that share corners with six equivalent HgF6 octahedra and faces with eight equivalent RbF12 cuboctahedra. The corner-sharing octahedral tilt angles are 0°. All Sc–F bond lengths are 2.03 Å. Hg2+ is bonded to six equivalent F1- atoms to form HgF6 octahedra that share corners with six equivalent ScF6 octahedra and faces with eight equivalent RbF12 cuboctahedra. The corner-sharing octahedral tilt angles are 0°. All Hg–F bond lengths are 2.59 Å. F1- is bonded in a 1-coordinate geometry to four equivalent Rb1+, one Sc2+, and one Hg2+ atom.