CuMoO4 crystallizes in the monoclinic P2_1/c space group. There are two inequivalent Mo sites. In the first Mo site, Mo(1) is bonded to one O(1), one O(2), one O(4), and one O(7) atom to form MoO4 tetrahedra that share corners with two equivalent Cu(1)O5 trigonal bipyramids and corners with three equivalent Cu(2)O5 trigonal bipyramids. In the second Mo site, Mo(2) is bonded to one O(3), one O(5), one O(6), and one O(8) atom to form MoO4 tetrahedra that share corners with two equivalent Cu(2)O5 trigonal bipyramids and corners with three equivalent Cu(1)O5 trigonal bipyramids. There are two inequivalent Cu sites. In the first Cu site, Cu(1) is bonded to one O(1), one O(3), one O(5), one O(6), and one O(7) atom to form CuO5 trigonal bipyramids that share corners with two equivalent Mo(1)O4 tetrahedra, corners with three equivalent Mo(2)O4 tetrahedra, and  a cornercorner with one Cu(2)O5 trigonal bipyramid. In the second Cu site, Cu(2) is bonded to one O(4), one O(6), one O(8), and two equivalent O(2) atoms to form distorted CuO5 trigonal bipyramids that share corners with two equivalent Mo(2)O4 tetrahedra, corners with three equivalent Mo(1)O4 tetrahedra,  a cornercorner with one Cu(1)O5 trigonal bipyramid, and  an edgeedge with one Cu(2)O5 trigonal bipyramid. There are eight inequivalent O sites. In the first O site, O(1) is bonded in a bent 120 degrees geometry to one Mo(1) and one Cu(1) atom. In the second O site, O(2) is bonded in a 3-coordinate geometry to one Mo(1) and two equivalent Cu(2) atoms. In the third O site, O(3) is bonded in a bent 120 degrees geometry to one Mo(2) and one Cu(1) atom. In the fourth O site, O(4) is bonded in a bent 120 degrees geometry to one Mo(1) and one Cu(2) atom. In the fifth O site, O(5) is bonded in a distorted bent 120 degrees geometry to one Mo(2) and one Cu(1) atom. In the sixth O site, O(6) is bonded in a distorted trigonal planar geometry to one Mo(2), one Cu(1), and one Cu(2) atom. In the seventh O site, O(7) is bonded in a distorted bent 150 degrees geometry to one Mo(1) and one Cu(1) atom. In the eighth O site, O(8) is bonded in a bent 150 degrees geometry to one Mo(2) and one Cu(2) atom.
CuMoO4 crystallizes in the monoclinic P2_1/c space group. There are two inequivalent Mo sites. In the first Mo site, Mo(1) is bonded to one O(1), one O(2), one O(4), and one O(7) atom to form MoO4 tetrahedra that share corners with two equivalent Cu(1)O5 trigonal bipyramids and corners with three equivalent Cu(2)O5 trigonal bipyramids. The Mo(1)-O(1) bond length is 1.80 Å. The Mo(1)-O(2) bond length is 1.83 Å. The Mo(1)-O(4) bond length is 1.82 Å. The Mo(1)-O(7) bond length is 1.78 Å. In the second Mo site, Mo(2) is bonded to one O(3), one O(5), one O(6), and one O(8) atom to form MoO4 tetrahedra that share corners with two equivalent Cu(2)O5 trigonal bipyramids and corners with three equivalent Cu(1)O5 trigonal bipyramids. The Mo(2)-O(3) bond length is 1.78 Å. The Mo(2)-O(5) bond length is 1.82 Å. The Mo(2)-O(6) bond length is 1.87 Å. The Mo(2)-O(8) bond length is 1.77 Å. There are two inequivalent Cu sites. In the first Cu site, Cu(1) is bonded to one O(1), one O(3), one O(5), one O(6), and one O(7) atom to form CuO5 trigonal bipyramids that share corners with two equivalent Mo(1)O4 tetrahedra, corners with three equivalent Mo(2)O4 tetrahedra, and  a cornercorner with one Cu(2)O5 trigonal bipyramid. The Cu(1)-O(1) bond length is 1.91 Å. The Cu(1)-O(3) bond length is 2.03 Å. The Cu(1)-O(5) bond length is 1.92 Å. The Cu(1)-O(6) bond length is 2.31 Å. The Cu(1)-O(7) bond length is 2.02 Å. In the second Cu site, Cu(2) is bonded to one O(4), one O(6), one O(8), and two equivalent O(2) atoms to form distorted CuO5 trigonal bipyramids that share corners with two equivalent Mo(2)O4 tetrahedra, corners with three equivalent Mo(1)O4 tetrahedra,  a cornercorner with one Cu(1)O5 trigonal bipyramid, and  an edgeedge with one Cu(2)O5 trigonal bipyramid. The Cu(2)-O(4) bond length is 1.93 Å. The Cu(2)-O(6) bond length is 1.99 Å. The Cu(2)-O(8) bond length is 1.94 Å. There is one shorter (1.93 Å) and one longer (2.45 Å) Cu(2)-O(2) bond length. There are eight inequivalent O sites. In the first O site, O(1) is bonded in a bent 120 degrees geometry to one Mo(1) and one Cu(1) atom. In the second O site, O(2) is bonded in a 3-coordinate geometry to one Mo(1) and two equivalent Cu(2) atoms. In the third O site, O(3) is bonded in a bent 120 degrees geometry to one Mo(2) and one Cu(1) atom. In the fourth O site, O(4) is bonded in a bent 120 degrees geometry to one Mo(1) and one Cu(2) atom. In the fifth O site, O(5) is bonded in a distorted bent 120 degrees geometry to one Mo(2) and one Cu(1) atom. In the sixth O site, O(6) is bonded in a distorted trigonal planar geometry to one Mo(2), one Cu(1), and one Cu(2) atom. In the seventh O site, O(7) is bonded in a distorted bent 150 degrees geometry to one Mo(1) and one Cu(1) atom. In the eighth O site, O(8) is bonded in a bent 150 degrees geometry to one Mo(2) and one Cu(2) atom.