Co2BO4 crystallizes in the orthorhombic Pnma space group. There are two inequivalent Co sites. In the first Co site, Co(1) is bonded to one O(2), two equivalent O(4), and three equivalent O(1) atoms to form a mixture of corner and edge-sharing CoO6 octahedra. The corner-sharing octahedral tilt angles range from 53-61°. In the second Co site, Co(2) is bonded to one O(1), one O(4), two equivalent O(2), and two equivalent O(3) atoms to form a mixture of corner and edge-sharing CoO6 octahedra. The corner-sharing octahedral tilt angles range from 53-61°. B(1) is bonded in a trigonal planar geometry to one O(2), 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 rectangular see-saw-like geometry to one Co(2) and three equivalent Co(1) atoms. In the second O site, O(2) is bonded in a 4-coordinate geometry to one Co(1), two equivalent Co(2), and one B(1) atom. In the third O site, O(3) is bonded in a distorted trigonal planar geometry to two equivalent Co(2) and one B(1) atom. In the fourth O site, O(4) is bonded in a 4-coordinate geometry to one Co(2), two equivalent Co(1), and one B(1) atom.
Co2BO4 crystallizes in the orthorhombic Pnma space group. There are two inequivalent Co sites. In the first Co site, Co(1) is bonded to one O(2), two equivalent O(4), and three equivalent O(1) atoms to form a mixture of corner and edge-sharing CoO6 octahedra. The corner-sharing octahedral tilt angles range from 53-61°. The Co(1)-O(2) bond length is 2.11 Å. Both Co(1)-O(4) bond lengths are 2.19 Å. There is one shorter (2.05 Å) and two longer (2.08 Å) Co(1)-O(1) bond lengths. In the second Co site, Co(2) is bonded to one O(1), one O(4), two equivalent O(2), and two equivalent O(3) atoms to form a mixture of corner and edge-sharing CoO6 octahedra. The corner-sharing octahedral tilt angles range from 53-61°. The Co(2)-O(1) bond length is 1.83 Å. The Co(2)-O(4) bond length is 2.07 Å. Both Co(2)-O(2) bond lengths are 2.17 Å. Both Co(2)-O(3) bond lengths are 2.02 Å. B(1) is bonded in a trigonal planar geometry to one O(2), one O(3), and one O(4) atom. The B(1)-O(2) bond length is 1.39 Å. The B(1)-O(3) bond length is 1.38 Å. The B(1)-O(4) bond length is 1.39 Å. There are four inequivalent O sites. In the first O site, O(1) is bonded in a distorted rectangular see-saw-like geometry to one Co(2) and three equivalent Co(1) atoms. In the second O site, O(2) is bonded in a 4-coordinate geometry to one Co(1), two equivalent Co(2), and one B(1) atom. In the third O site, O(3) is bonded in a distorted trigonal planar geometry to two equivalent Co(2) and one B(1) atom. In the fourth O site, O(4) is bonded in a 4-coordinate geometry to one Co(2), two equivalent Co(1), and one B(1) atom.