Fe3(OF2)2 is Hydrophilite-derived structured and crystallizes in the tetragonal P4_2/mnm space group. There are two inequivalent Fe sites. In the first Fe site, Fe(1) is bonded to two equivalent O(1) and four equivalent F(1) atoms to form a mixture of edge and corner-sharing FeO2F4 octahedra. The corner-sharing octahedral tilt angles range from 43-59°. In the second Fe site, Fe(2) is bonded to two equivalent O(1) and four equivalent F(1) atoms to form a mixture of edge and corner-sharing FeO2F4 octahedra. The corner-sharing octahedral tilt angles range from 43-59°. O(1) is bonded in a distorted T-shaped geometry to one Fe(2) and two equivalent Fe(1) atoms. F(1) is bonded in a trigonal planar geometry to one Fe(2) and two equivalent Fe(1) atoms.
Fe3(OF2)2 is Hydrophilite-derived structured and crystallizes in the tetragonal P4_2/mnm space group. There are two inequivalent Fe sites. In the first Fe site, Fe(1) is bonded to two equivalent O(1) and four equivalent F(1) atoms to form a mixture of edge and corner-sharing FeO2F4 octahedra. The corner-sharing octahedral tilt angles range from 43-59°. Both Fe(1)-O(1) bond lengths are 1.97 Å. There are two shorter (2.07 Å) and two longer (2.17 Å) Fe(1)-F(1) bond lengths. In the second Fe site, Fe(2) is bonded to two equivalent O(1) and four equivalent F(1) atoms to form a mixture of edge and corner-sharing FeO2F4 octahedra. The corner-sharing octahedral tilt angles range from 43-59°. Both Fe(2)-O(1) bond lengths are 1.92 Å. All Fe(2)-F(1) bond lengths are 2.08 Å. O(1) is bonded in a distorted T-shaped geometry to one Fe(2) and two equivalent Fe(1) atoms. F(1) is bonded in a trigonal planar geometry to one Fe(2) and two equivalent Fe(1) atoms.