BaFe2O4 crystallizes in the hexagonal P6_322 space group. Ba(1) is bonded in a distorted q6 geometry to three equivalent O(2) and six equivalent O(1) atoms. Fe(1) is bonded to one O(2) and three equivalent O(1) atoms to form corner-sharing FeO4 tetrahedra. There are two inequivalent O sites. In the first O site, O(2) is bonded in a linear geometry to three equivalent Ba(1) and two equivalent Fe(1) atoms. In the second O site, O(1) is bonded in a distorted bent 120 degrees geometry to two equivalent Ba(1) and two equivalent Fe(1) atoms.
BaFe2O4 crystallizes in the hexagonal P6_322 space group. Ba(1) is bonded in a distorted q6 geometry to three equivalent O(2) and six equivalent O(1) atoms. All Ba(1)-O(2) bond lengths are 3.18 Å. All Ba(1)-O(1) bond lengths are 2.93 Å. Fe(1) is bonded to one O(2) and three equivalent O(1) atoms to form corner-sharing FeO4 tetrahedra. The Fe(1)-O(2) bond length is 1.87 Å. All Fe(1)-O(1) bond lengths are 1.90 Å. There are two inequivalent O sites. In the first O site, O(2) is bonded in a linear geometry to three equivalent Ba(1) and two equivalent Fe(1) atoms. In the second O site, O(1) is bonded in a distorted bent 120 degrees geometry to two equivalent Ba(1) and two equivalent Fe(1) atoms.