Fe2BO4 crystallizes in the orthorhombic Pnma space group. There are two inequivalent Fe sites. In the first Fe site, Fe(1) is bonded to one O(2), one O(4), two equivalent O(1), and two equivalent O(3) atoms to form a mixture of corner and edge-sharing FeO6 octahedra. The corner-sharing octahedral tilt angles range from 57-63°. In the second Fe site, Fe(2) is bonded to one O(3), two equivalent O(4), and three equivalent O(2) atoms to form a mixture of corner and edge-sharing FeO6 octahedra. The corner-sharing octahedral tilt angles range from 57-63°. B(1) is bonded in a trigonal planar geometry to one O(1), one O(3), and one O(4) atom. There are four inequivalent O sites. In the first O site, O(1) is bonded in a distorted trigonal planar geometry to two equivalent Fe(1) and one B(1) atom. In the second O site, O(2) is bonded to one Fe(1) and three equivalent Fe(2) atoms to form a mixture of corner and edge-sharing OFe4 tetrahedra. In the third O site, O(3) is bonded in a 4-coordinate geometry to one Fe(2), two equivalent Fe(1), and one B(1) atom. In the fourth O site, O(4) is bonded in a distorted rectangular see-saw-like geometry to one Fe(1), two equivalent Fe(2), and one B(1) atom.
Fe2BO4 crystallizes in the orthorhombic Pnma space group. There are two inequivalent Fe sites. In the first Fe site, Fe(1) is bonded to one O(2), one O(4), two equivalent O(1), and two equivalent O(3) atoms to form a mixture of corner and edge-sharing FeO6 octahedra. The corner-sharing octahedral tilt angles range from 57-63°. The Fe(1)-O(2) bond length is 2.13 Å. The Fe(1)-O(4) bond length is 2.25 Å. Both Fe(1)-O(1) bond lengths are 2.07 Å. Both Fe(1)-O(3) bond lengths are 2.24 Å. In the second Fe site, Fe(2) is bonded to one O(3), two equivalent O(4), and three equivalent O(2) atoms to form a mixture of corner and edge-sharing FeO6 octahedra. The corner-sharing octahedral tilt angles range from 57-63°. The Fe(2)-O(3) bond length is 2.06 Å. Both Fe(2)-O(4) bond lengths are 2.16 Å. All Fe(2)-O(2) bond lengths are 2.03 Å. B(1) is bonded in a trigonal planar geometry to one O(1), one O(3), and one O(4) atom. The B(1)-O(1) bond length is 1.35 Å. The B(1)-O(3) bond length is 1.40 Å. The B(1)-O(4) bond length is 1.42 Å. There are four inequivalent O sites. In the first O site, O(1) is bonded in a distorted trigonal planar geometry to two equivalent Fe(1) and one B(1) atom. In the second O site, O(2) is bonded to one Fe(1) and three equivalent Fe(2) atoms to form a mixture of corner and edge-sharing OFe4 tetrahedra. In the third O site, O(3) is bonded in a 4-coordinate geometry to one Fe(2), two equivalent Fe(1), and one B(1) atom. In the fourth O site, O(4) is bonded in a distorted rectangular see-saw-like geometry to one Fe(1), two equivalent Fe(2), and one B(1) atom.