Materials Data on NiOF by Materials Project
NiOF crystallizes in the tetragonal P4/mmm space group. The structure is three-dimensional. Ni3+ is bonded to four equivalent O2- and two equivalent F1- atoms to form a mixture of corner and edge-sharing NiO4F2 octahedra. The corner-sharing octahedral tilt angles are 0°. All Ni–O bond lengths are 2.04 Å. Both Ni–F bond lengths are 1.93 Å. O2- is bonded in a square co-planar geometry to four equivalent Ni3+ atoms. F1- is bonded in a linear geometry to two equivalent Ni3+ atoms.
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