Materials Data on MgBiF6 by Materials Project

MgBiF6 crystallizes in the trigonal R-3 space group. The structure is three-dimensional. Mg is bonded to six equivalent F atoms to form MgF6 octahedra that share corners with six equivalent BiF6 octahedra. The corner-sharing octahedral tilt angles are 30°. All Mg–F bond lengths are 2.01 Å. Bi is bonded to six equivalent F atoms to form BiF6 octahedra that share corners with six equivalent MgF6 octahedra. The corner-sharing octahedral tilt angles are 30°. All Bi–F bond lengths are 2.17 Å. F is bonded in a bent 150 degrees geometry to one Mg and one Bi atom.