Materials Data on MgCrF6 by Materials Project
MgCrF6 crystallizes in the trigonal R-3 space group. The structure is three-dimensional. Mg2+ is bonded to six equivalent F1- atoms to form MgF6 octahedra that share corners with six equivalent CrF6 octahedra. The corner-sharing octahedral tilt angles are 27°. All Mg–F bond lengths are 2.01 Å. Cr4+ is bonded to six equivalent F1- atoms to form CrF6 octahedra that share corners with six equivalent MgF6 octahedra. The corner-sharing octahedral tilt angles are 27°. All Cr–F bond lengths are 1.86 Å. F1- is bonded in a bent 150 degrees geometry to one Mg2+ and one Cr4+ atom.
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