Materials Data on CaBiF6 by Materials Project
CaBiF6 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 BiF6 octahedra. The corner-sharing octahedral tilt angles are 41°. All Ca–F bond lengths are 2.28 Å. Bi is bonded to six equivalent F atoms to form BiF6 octahedra that share corners with six equivalent CaF6 octahedra. The corner-sharing octahedral tilt angles are 41°. All Bi–F bond lengths are 2.17 Å. F is bonded in a bent 150 degrees geometry to one Ca and one Bi atom.
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