BaFe4O7 crystallizes in the hexagonal P6_3mc space group. Ba(1) is bonded to six equivalent O(1) and six equivalent O(3) atoms to form distorted BaO12 cuboctahedra that share corners with twelve equivalent Ba(1)O12 cuboctahedra, edges with three equivalent Fe(2)O4 tetrahedra, and edges with nine equivalent Fe(1)O4 tetrahedra. There are two inequivalent Fe sites. In the first Fe site, Fe(1) is bonded to one O(1), one O(2), and two equivalent O(3) atoms to form FeO4 tetrahedra that share corners with two equivalent Fe(2)O4 tetrahedra, corners with four equivalent Fe(1)O4 tetrahedra, and edges with three equivalent Ba(1)O12 cuboctahedra. In the second Fe site, Fe(2) is bonded to one O(2) and three equivalent O(1) atoms to form FeO4 tetrahedra that share corners with six equivalent Fe(1)O4 tetrahedra and edges with three equivalent Ba(1)O12 cuboctahedra. There are three inequivalent O sites. In the first O site, O(1) is bonded in a bent 120 degrees geometry to two equivalent Ba(1), one Fe(1), and one Fe(2) atom. In the second O site, O(2) is bonded in a tetrahedral geometry to one Fe(2) and three equivalent Fe(1) atoms. In the third O site, O(3) is bonded in a distorted bent 120 degrees geometry to two equivalent Ba(1) and two equivalent Fe(1) atoms.
BaFe4O7 crystallizes in the hexagonal P6_3mc space group. Ba(1) is bonded to six equivalent O(1) and six equivalent O(3) atoms to form distorted BaO12 cuboctahedra that share corners with twelve equivalent Ba(1)O12 cuboctahedra, edges with three equivalent Fe(2)O4 tetrahedra, and edges with nine equivalent Fe(1)O4 tetrahedra. All Ba(1)-O(1) bond lengths are 3.26 Å. There are three shorter (3.11 Å) and three longer (3.37 Å) Ba(1)-O(3) bond lengths. There are two inequivalent Fe sites. In the first Fe site, Fe(1) is bonded to one O(1), one O(2), and two equivalent O(3) atoms to form FeO4 tetrahedra that share corners with two equivalent Fe(2)O4 tetrahedra, corners with four equivalent Fe(1)O4 tetrahedra, and edges with three equivalent Ba(1)O12 cuboctahedra. The Fe(1)-O(1) bond length is 1.87 Å. The Fe(1)-O(2) bond length is 2.05 Å. Both Fe(1)-O(3) bond lengths are 1.87 Å. In the second Fe site, Fe(2) is bonded to one O(2) and three equivalent O(1) atoms to form FeO4 tetrahedra that share corners with six equivalent Fe(1)O4 tetrahedra and edges with three equivalent Ba(1)O12 cuboctahedra. The Fe(2)-O(2) bond length is 2.01 Å. All Fe(2)-O(1) bond lengths are 1.86 Å. There are three inequivalent O sites. In the first O site, O(1) is bonded in a bent 120 degrees geometry to two equivalent Ba(1), one Fe(1), and one Fe(2) atom. In the second O site, O(2) is bonded in a tetrahedral geometry to one Fe(2) and three equivalent Fe(1) atoms. In the third O site, O(3) is bonded in a distorted bent 120 degrees geometry to two equivalent Ba(1) and two equivalent Fe(1) atoms.