Cu3(MoO5)2 crystallizes in the monoclinic P2_1/c space group. Mo(1) is bonded to one O(1), one O(2), one O(3), and one O(4) atom to form MoO4 tetrahedra that share corners with two equivalent Cu(1)O6 octahedra. The corner-sharing octahedral tilt angles range from 46-57°. There are two inequivalent Cu sites. In the first Cu site, Cu(1) is bonded to two equivalent O(2), two equivalent O(4), and two equivalent O(5) atoms to form CuO6 octahedra that share corners with four equivalent Mo(1)O4 tetrahedra. In the second Cu site, Cu(2) is bonded in a 6-coordinate geometry to one O(1), one O(2), one O(3), one O(4), and two equivalent O(5) atoms. There are five inequivalent O sites. In the first O site, O(1) is bonded in a bent 150 degrees geometry to one Mo(1) and one Cu(2) atom. In the second O site, O(2) is bonded in a 3-coordinate geometry to one Mo(1), one Cu(1), and one Cu(2) atom. In the third O site, O(3) is bonded in a bent 150 degrees geometry to one Mo(1) and one Cu(2) atom. In the fourth O site, O(4) is bonded in a 2-coordinate geometry to one Mo(1), one Cu(1), and one Cu(2) atom. In the fifth O site, O(5) is bonded in a trigonal non-coplanar geometry to one Cu(1) and two equivalent Cu(2) atoms.
Cu3(MoO5)2 crystallizes in the monoclinic P2_1/c space group. Mo(1) is bonded to one O(1), one O(2), one O(3), and one O(4) atom to form MoO4 tetrahedra that share corners with two equivalent Cu(1)O6 octahedra. The corner-sharing octahedral tilt angles range from 46-57°. The Mo(1)-O(1) bond length is 1.79 Å. The Mo(1)-O(2) bond length is 1.76 Å. The Mo(1)-O(3) bond length is 1.81 Å. The Mo(1)-O(4) bond length is 1.84 Å. There are two inequivalent Cu sites. In the first Cu site, Cu(1) is bonded to two equivalent O(2), two equivalent O(4), and two equivalent O(5) atoms to form CuO6 octahedra that share corners with four equivalent Mo(1)O4 tetrahedra. Both Cu(1)-O(2) bond lengths are 2.45 Å. Both Cu(1)-O(4) bond lengths are 1.88 Å. Both Cu(1)-O(5) bond lengths are 1.92 Å. In the second Cu site, Cu(2) is bonded in a 6-coordinate geometry to one O(1), one O(2), one O(3), one O(4), and two equivalent O(5) atoms. The Cu(2)-O(1) bond length is 1.93 Å. The Cu(2)-O(2) bond length is 2.36 Å. The Cu(2)-O(3) bond length is 1.87 Å. The Cu(2)-O(4) bond length is 2.62 Å. There is one shorter (1.88 Å) and one longer (1.90 Å) Cu(2)-O(5) bond length. There are five inequivalent O sites. In the first O site, O(1) is bonded in a bent 150 degrees geometry to one Mo(1) and one Cu(2) atom. In the second O site, O(2) is bonded in a 3-coordinate geometry to one Mo(1), one Cu(1), and one Cu(2) atom. In the third O site, O(3) is bonded in a bent 150 degrees geometry to one Mo(1) and one Cu(2) atom. In the fourth O site, O(4) is bonded in a 2-coordinate geometry to one Mo(1), one Cu(1), and one Cu(2) atom. In the fifth O site, O(5) is bonded in a trigonal non-coplanar geometry to one Cu(1) and two equivalent Cu(2) atoms.