Fe2O3Cl crystallizes in the trigonal R-3m space group. There are two inequivalent Fe sites. In the first Fe site, Fe(1) is bonded to six equivalent O(1) atoms to form edge-sharing FeO6 octahedra. In the second Fe site, Fe(2) is bonded to four equivalent O(1) and two equivalent Cl(1) atoms to form distorted FeCl2O4 octahedra that share edges with two equivalent Fe(1)O6 octahedra and edges with four equivalent Fe(2)Cl2O4 octahedra. O(1) is bonded in a trigonal non-coplanar geometry to one Fe(1) and two equivalent Fe(2) atoms. Cl(1) is bonded in a 3-coordinate geometry to three equivalent Fe(2) atoms.
Fe2O3Cl crystallizes in the trigonal R-3m space group. There are two inequivalent Fe sites. In the first Fe site, Fe(1) is bonded to six equivalent O(1) atoms to form edge-sharing FeO6 octahedra. All Fe(1)-O(1) bond lengths are 2.03 Å. In the second Fe site, Fe(2) is bonded to four equivalent O(1) and two equivalent Cl(1) atoms to form distorted FeCl2O4 octahedra that share edges with two equivalent Fe(1)O6 octahedra and edges with four equivalent Fe(2)Cl2O4 octahedra. All Fe(2)-O(1) bond lengths are 1.97 Å. Both Fe(2)-Cl(1) bond lengths are 2.51 Å. O(1) is bonded in a trigonal non-coplanar geometry to one Fe(1) and two equivalent Fe(2) atoms. Cl(1) is bonded in a 3-coordinate geometry to three equivalent Fe(2) atoms.