Materials Data on MgFeF6 by Materials Project
MgFeF6 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 FeF6 octahedra. The corner-sharing octahedral tilt angles are 27°. All Mg–F bond lengths are 2.01 Å. Fe is bonded to six equivalent F atoms to form FeF6 octahedra that share corners with six equivalent MgF6 octahedra. The corner-sharing octahedral tilt angles are 27°. All Fe–F bond lengths are 1.88 Å. F is bonded in a bent 150 degrees geometry to one Mg and one Fe atom.
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