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MoF3 is alpha Rhenium trioxide structured and crystallizes in the cubic Pm-3m space group. The structure is three-dimensional. Mo3+ is bonded to six equivalent F1- atoms to form corner-sharing MoF6 octahedra. The corner-sharing octahedral tilt angles are 0°. All Mo–F bond lengths are 2.10 Å. F1- is bonded in a linear geometry to two equivalent Mo3+ atoms.
MoF3 crystallizes in the trigonal R-3c space group. The structure is three-dimensional. Mo3+ is bonded to six equivalent F1- atoms to form corner-sharing MoF6 octahedra. The corner-sharing octahedral tilt angles are 38°. All Mo–F bond lengths are 2.11 Å. F1- is bonded in a bent 150 degrees geometry to two equivalent Mo3+ atoms.