Materials Data on CaSbF6 by Materials Project
CaSbF6 crystallizes in the trigonal R-3 space group. The structure is three-dimensional. Ca is bonded to six equivalent F atoms to form CaF6 octahedra that share corners with six equivalent SbF6 octahedra. The corner-sharing octahedral tilt angles are 31°. All Ca–F bond lengths are 2.29 Å. Sb is bonded to six equivalent F atoms to form SbF6 octahedra that share corners with six equivalent CaF6 octahedra. The corner-sharing octahedral tilt angles are 31°. All Sb–F bond lengths are 2.05 Å. F is bonded in a bent 150 degrees geometry to one Ca and one Sb atom.
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