FeOF is Hydrophilite-derived structured and crystallizes in the trigonal R3 space group. There are three inequivalent Fe sites. In the first Fe site, Fe(1) is bonded to three equivalent O(1) and three equivalent F(1) atoms to form a mixture of distorted face and corner-sharing FeO3F3 octahedra. The corner-sharing octahedral tilt angles range from 30-49°. In the second Fe site, Fe(2) is bonded to three equivalent O(1) and three equivalent F(1) atoms to form a mixture of distorted edge, face, and corner-sharing FeO3F3 pentagonal pyramids. The corner-sharing octahedral tilt angles are 56°. In the third Fe site, Fe(3) is bonded to three equivalent O(1) and three equivalent F(1) atoms to form a mixture of edge and corner-sharing FeO3F3 octahedra. The corner-sharing octahedral tilt angles range from 30-49°. O(1) is bonded in a trigonal planar geometry to one Fe(1), one Fe(2), and one Fe(3) atom. F(1) is bonded in a T-shaped geometry to one Fe(1), one Fe(2), and one Fe(3) atom.
FeOF is Hydrophilite-derived structured and crystallizes in the trigonal R3 space group. There are three inequivalent Fe sites. In the first Fe site, Fe(1) is bonded to three equivalent O(1) and three equivalent F(1) atoms to form a mixture of distorted face and corner-sharing FeO3F3 octahedra. The corner-sharing octahedral tilt angles range from 30-49°. All Fe(1)-O(1) bond lengths are 1.94 Å. All Fe(1)-F(1) bond lengths are 2.18 Å. In the second Fe site, Fe(2) is bonded to three equivalent O(1) and three equivalent F(1) atoms to form a mixture of distorted edge, face, and corner-sharing FeO3F3 pentagonal pyramids. The corner-sharing octahedral tilt angles are 56°. All Fe(2)-O(1) bond lengths are 1.93 Å. All Fe(2)-F(1) bond lengths are 2.13 Å. In the third Fe site, Fe(3) is bonded to three equivalent O(1) and three equivalent F(1) atoms to form a mixture of edge and corner-sharing FeO3F3 octahedra. The corner-sharing octahedral tilt angles range from 30-49°. All Fe(3)-O(1) bond lengths are 1.96 Å. All Fe(3)-F(1) bond lengths are 2.10 Å. O(1) is bonded in a trigonal planar geometry to one Fe(1), one Fe(2), and one Fe(3) atom. F(1) is bonded in a T-shaped geometry to one Fe(1), one Fe(2), and one Fe(3) atom.