Materials Data on SrRhF6 by Materials Project

Abstract

SrRhF6 crystallizes in the trigonal R-3m space group. The structure is three-dimensional. Sr2+ is bonded to twelve equivalent F1- atoms to form SrF12 cuboctahedra that share corners with six equivalent RhF6 octahedra, edges with six equivalent SrF12 cuboctahedra, and faces with two equivalent RhF6 octahedra. The corner-sharing octahedral tilt angles are 39°. There are six shorter (2.72 Å) and six longer (2.80 Å) Sr–F bond lengths. Rh4+ is bonded to six equivalent F1- atoms to form RhF6 octahedra that share corners with six equivalent SrF12 cuboctahedra and faces with two equivalent SrF12 cuboctahedra. All Rh–F bond lengths are 1.95 Å. F1- is bonded in a distorted single-bond geometry to two equivalent Sr2+ and one Rh4+ atom.