CoMoO4 crystallizes in the monoclinic C2/m space group. There are two inequivalent Mo sites. In the first Mo site, Mo(1) is bonded in a 6-coordinate geometry to one O(4), one O(5), two equivalent O(1), and two equivalent O(2) atoms. In the second Mo site, Mo(2) is bonded in a 6-coordinate geometry to two equivalent O(2), two equivalent O(3), and two equivalent O(4) atoms. There are two inequivalent Co sites. In the first Co site, Co(1) is bonded to one O(4), one O(5), two equivalent O(2), and two equivalent O(3) atoms to form edge-sharing CoO6 octahedra. In the second Co site, Co(2) is bonded to two equivalent O(1), two equivalent O(2), and two equivalent O(5) atoms to form edge-sharing CoO6 octahedra. There are five inequivalent O sites. In the first O site, O(1) is bonded in a linear geometry to one Mo(1) and one Co(2) atom. In the second O site, O(2) is bonded in a distorted see-saw-like geometry to one Mo(1), one Mo(2), one Co(1), and one Co(2) atom. In the third O site, O(3) is bonded in a linear geometry to one Mo(2) and one Co(1) atom. In the fourth O site, O(4) is bonded in a distorted see-saw-like geometry to one Mo(1), two equivalent Mo(2), and one Co(1) atom. In the fifth O site, O(5) is bonded in a distorted see-saw-like geometry to one Mo(1), one Co(1), and two equivalent Co(2) atoms.
CoMoO4 crystallizes in the monoclinic C2/m space group. There are two inequivalent Mo sites. In the first Mo site, Mo(1) is bonded in a 6-coordinate geometry to one O(4), one O(5), two equivalent O(1), and two equivalent O(2) atoms. The Mo(1)-O(4) bond length is 1.92 Å. The Mo(1)-O(5) bond length is 1.90 Å. Both Mo(1)-O(1) bond lengths are 1.73 Å. Both Mo(1)-O(2) bond lengths are 2.32 Å. In the second Mo site, Mo(2) is bonded in a 6-coordinate geometry to two equivalent O(2), two equivalent O(3), and two equivalent O(4) atoms. Both Mo(2)-O(2) bond lengths are 1.90 Å. Both Mo(2)-O(3) bond lengths are 1.73 Å. Both Mo(2)-O(4) bond lengths are 2.35 Å. There are two inequivalent Co sites. In the first Co site, Co(1) is bonded to one O(4), one O(5), two equivalent O(2), and two equivalent O(3) atoms to form edge-sharing CoO6 octahedra. The Co(1)-O(4) bond length is 2.05 Å. The Co(1)-O(5) bond length is 2.02 Å. Both Co(1)-O(2) bond lengths are 2.17 Å. Both Co(1)-O(3) bond lengths are 1.97 Å. In the second Co site, Co(2) is bonded to two equivalent O(1), two equivalent O(2), and two equivalent O(5) atoms to form edge-sharing CoO6 octahedra. Both Co(2)-O(1) bond lengths are 1.98 Å. Both Co(2)-O(2) bond lengths are 2.04 Å. Both Co(2)-O(5) bond lengths are 2.13 Å. There are five inequivalent O sites. In the first O site, O(1) is bonded in a linear geometry to one Mo(1) and one Co(2) atom. In the second O site, O(2) is bonded in a distorted see-saw-like geometry to one Mo(1), one Mo(2), one Co(1), and one Co(2) atom. In the third O site, O(3) is bonded in a linear geometry to one Mo(2) and one Co(1) atom. In the fourth O site, O(4) is bonded in a distorted see-saw-like geometry to one Mo(1), two equivalent Mo(2), and one Co(1) atom. In the fifth O site, O(5) is bonded in a distorted see-saw-like geometry to one Mo(1), one Co(1), and two equivalent Co(2) atoms.