BaFe4O7 crystallizes in the hexagonal P6_3/m space group. Ba(1) is bonded in a distorted q6 geometry to three equivalent O(1) and six equivalent O(2) atoms. There are two inequivalent Fe sites. In the first Fe site, Fe(1) is bonded to one O(1) and three equivalent O(2) atoms to form FeO4 tetrahedra that share corners with six equivalent Fe(2)O6 octahedra and  a cornercorner with one Fe(1)O4 tetrahedra. The corner-sharing octahedral tilt angles range from 59-62°. In the second Fe site, Fe(2) is bonded to six equivalent O(2) atoms to form FeO6 octahedra that share corners with six equivalent Fe(1)O4 tetrahedra and edges with three equivalent Fe(2)O6 octahedra. There are two inequivalent O sites. In the first O site, O(1) is bonded in a distorted linear geometry to three equivalent Ba(1) and two equivalent Fe(1) atoms. In the second O site, O(2) is bonded in a 3-coordinate geometry to one Ba(1), one Fe(1), and two equivalent Fe(2) atoms.
BaFe4O7 crystallizes in the hexagonal P6_3/m space group. Ba(1) is bonded in a distorted q6 geometry to three equivalent O(1) and six equivalent O(2) atoms. All Ba(1)-O(1) bond lengths are 2.95 Å. All Ba(1)-O(2) bond lengths are 2.88 Å. There are two inequivalent Fe sites. In the first Fe site, Fe(1) is bonded to one O(1) and three equivalent O(2) atoms to form FeO4 tetrahedra that share corners with six equivalent Fe(2)O6 octahedra and  a cornercorner with one Fe(1)O4 tetrahedra. The corner-sharing octahedral tilt angles range from 59-62°. The Fe(1)-O(1) bond length is 1.91 Å. All Fe(1)-O(2) bond lengths are 1.90 Å. In the second Fe site, Fe(2) is bonded to six equivalent O(2) atoms to form FeO6 octahedra that share corners with six equivalent Fe(1)O4 tetrahedra and edges with three equivalent Fe(2)O6 octahedra. All Fe(2)-O(2) bond lengths are 1.98 Å. There are two inequivalent O sites. In the first O site, O(1) is bonded in a distorted linear geometry to three equivalent Ba(1) and two equivalent Fe(1) atoms. In the second O site, O(2) is bonded in a 3-coordinate geometry to one Ba(1), one Fe(1), and two equivalent Fe(2) atoms.