CuMoO4 crystallizes in the triclinic P-1 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(3), one O(4), one O(7), one O(8), and two equivalent O(1) atoms. In the second Mo site, Mo(2) is bonded in a 6-coordinate geometry to one O(1), one O(2), one O(3), one O(5), one O(6), and one O(8) atom. There are two inequivalent Cu sites. In the first Cu site, Cu(1) is bonded in a 5-coordinate geometry to one O(1), one O(3), one O(4), one O(5), and one O(7) atom. In the second Cu site, Cu(2) is bonded in a distorted square pyramidal geometry to one O(2), one O(3), one O(5), one O(6), and one O(8) atom. There are eight inequivalent O sites. In the first O site, O(1) is bonded in a 4-coordinate geometry to one Mo(2), two equivalent Mo(1), and one Cu(1) atom. In the second O site, O(2) is bonded in a bent 150 degrees geometry to one Mo(2) and one Cu(2) atom. In the third O site, O(3) is bonded in a 3-coordinate geometry to one Mo(1), one Mo(2), one Cu(1), and one Cu(2) atom. In the fourth O site, O(4) is bonded in a linear geometry to one Mo(1) and one Cu(1) atom. In the fifth O site, O(5) is bonded in a distorted T-shaped geometry to one Mo(2), one Cu(1), and one Cu(2) atom. In the sixth O site, O(6) is bonded in a linear geometry to one Mo(2) and one Cu(2) atom. In the seventh O site, O(7) is bonded in a distorted linear geometry to one Mo(1) and one Cu(1) atom. In the eighth O site, O(8) is bonded in a 3-coordinate geometry to one Mo(1), one Mo(2), and one Cu(2) atom.
CuMoO4 crystallizes in the triclinic P-1 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(3), one O(4), one O(7), one O(8), and two equivalent O(1) atoms. The Mo(1)-O(3) bond length is 1.96 Å. The Mo(1)-O(4) bond length is 1.77 Å. The Mo(1)-O(7) bond length is 1.73 Å. The Mo(1)-O(8) bond length is 1.92 Å. There is one shorter (2.26 Å) and one longer (2.67 Å) Mo(1)-O(1) bond length. In the second Mo site, Mo(2) is bonded in a 6-coordinate geometry to one O(1), one O(2), one O(3), one O(5), one O(6), and one O(8) atom. The Mo(2)-O(1) bond length is 1.97 Å. The Mo(2)-O(2) bond length is 1.77 Å. The Mo(2)-O(3) bond length is 2.63 Å. The Mo(2)-O(5) bond length is 1.92 Å. The Mo(2)-O(6) bond length is 1.73 Å. The Mo(2)-O(8) bond length is 2.20 Å. There are two inequivalent Cu sites. In the first Cu site, Cu(1) is bonded in a 5-coordinate geometry to one O(1), one O(3), one O(4), one O(5), and one O(7) atom. The Cu(1)-O(1) bond length is 1.96 Å. The Cu(1)-O(3) bond length is 2.02 Å. The Cu(1)-O(4) bond length is 1.92 Å. The Cu(1)-O(5) bond length is 1.95 Å. The Cu(1)-O(7) bond length is 2.41 Å. In the second Cu site, Cu(2) is bonded in a distorted square pyramidal geometry to one O(2), one O(3), one O(5), one O(6), and one O(8) atom. The Cu(2)-O(2) bond length is 1.91 Å. The Cu(2)-O(3) bond length is 1.98 Å. The Cu(2)-O(5) bond length is 1.97 Å. The Cu(2)-O(6) bond length is 2.27 Å. The Cu(2)-O(8) bond length is 1.98 Å. There are eight inequivalent O sites. In the first O site, O(1) is bonded in a 4-coordinate geometry to one Mo(2), two equivalent Mo(1), and one Cu(1) atom. In the second O site, O(2) is bonded in a bent 150 degrees geometry to one Mo(2) and one Cu(2) atom. In the third O site, O(3) is bonded in a 3-coordinate geometry to one Mo(1), one Mo(2), one Cu(1), and one Cu(2) atom. In the fourth O site, O(4) is bonded in a linear geometry to one Mo(1) and one Cu(1) atom. In the fifth O site, O(5) is bonded in a distorted T-shaped geometry to one Mo(2), one Cu(1), and one Cu(2) atom. In the sixth O site, O(6) is bonded in a linear geometry to one Mo(2) and one Cu(2) atom. In the seventh O site, O(7) is bonded in a distorted linear geometry to one Mo(1) and one Cu(1) atom. In the eighth O site, O(8) is bonded in a 3-coordinate geometry to one Mo(1), one Mo(2), and one Cu(2) atom.