Fe5O8 crystallizes in the cubic P4_332 space group. There are two inequivalent Fe sites. In the first Fe site, Fe(1) is bonded to one O(2) and three equivalent O(1) atoms to form corner-sharing FeO4 tetrahedra. The corner-sharing octahedral tilt angles range from 52-59°. In the second Fe site, Fe(2) is bonded to two equivalent O(2) and four equivalent O(1) atoms to form FeO6 octahedra that share corners with six equivalent Fe(1)O4 tetrahedra and edges with four equivalent Fe(2)O6 octahedra. There are two inequivalent O sites. In the first O site, O(1) is bonded in a distorted trigonal planar geometry to one Fe(1) and two equivalent Fe(2) atoms. In the second O site, O(2) is bonded to one Fe(1) and three equivalent Fe(2) atoms to form distorted corner-sharing OFe4 trigonal pyramids.
Fe5O8 crystallizes in the cubic P4_332 space group. There are two inequivalent Fe sites. In the first Fe site, Fe(1) is bonded to one O(2) and three equivalent O(1) atoms to form corner-sharing FeO4 tetrahedra. The corner-sharing octahedral tilt angles range from 52-59°. The Fe(1)-O(2) bond length is 2.03 Å. All Fe(1)-O(1) bond lengths are 1.82 Å. In the second Fe site, Fe(2) is bonded to two equivalent O(2) and four equivalent O(1) atoms to form FeO6 octahedra that share corners with six equivalent Fe(1)O4 tetrahedra and edges with four equivalent Fe(2)O6 octahedra. Both Fe(2)-O(2) bond lengths are 2.05 Å. There are two shorter (1.97 Å) and two longer (2.06 Å) Fe(2)-O(1) bond lengths. There are two inequivalent O sites. In the first O site, O(1) is bonded in a distorted trigonal planar geometry to one Fe(1) and two equivalent Fe(2) atoms. In the second O site, O(2) is bonded to one Fe(1) and three equivalent Fe(2) atoms to form distorted corner-sharing OFe4 trigonal pyramids.