CuIn(MoO4)2 crystallizes in the monoclinic C2/c space group. Mo(1) is bonded to one O(1), one O(2), two equivalent O(3), and two equivalent O(4) atoms to form distorted MoO6 octahedra that share corners with four equivalent Cu(1)O6 octahedra, corners with four equivalent In(1)O6 octahedra, and edges with two equivalent Mo(1)O6 octahedra. The corner-sharing octahedral tilt angles range from 44-57°. Cu(1) is bonded to two equivalent O(1), two equivalent O(2), and two equivalent O(4) atoms to form distorted CuO6 octahedra that share corners with eight equivalent Mo(1)O6 octahedra and edges with two equivalent In(1)O6 octahedra. The corner-sharing octahedral tilt angles range from 44-56°. In(1) is bonded to two equivalent O(1), two equivalent O(2), and two equivalent O(3) atoms to form distorted InO6 octahedra that share corners with eight equivalent Mo(1)O6 octahedra and edges with two equivalent Cu(1)O6 octahedra. The corner-sharing octahedral tilt angles range from 47-57°. There are four inequivalent O sites. In the first O site, O(1) is bonded in a 3-coordinate geometry to one Mo(1), one Cu(1), and one In(1) atom. In the second O site, O(2) is bonded in a distorted trigonal planar geometry to one Mo(1), one Cu(1), and one In(1) atom. In the third O site, O(3) is bonded in a trigonal planar geometry to two equivalent Mo(1) and one In(1) atom. In the fourth O site, O(4) is bonded in a trigonal planar geometry to two equivalent Mo(1) and one Cu(1) atom.
CuIn(MoO4)2 crystallizes in the monoclinic C2/c space group. Mo(1) is bonded to one O(1), one O(2), two equivalent O(3), and two equivalent O(4) atoms to form distorted MoO6 octahedra that share corners with four equivalent Cu(1)O6 octahedra, corners with four equivalent In(1)O6 octahedra, and edges with two equivalent Mo(1)O6 octahedra. The corner-sharing octahedral tilt angles range from 44-57°. The Mo(1)-O(1) bond length is 1.83 Å. The Mo(1)-O(2) bond length is 1.82 Å. There is one shorter (1.99 Å) and one longer (2.20 Å) Mo(1)-O(3) bond length. There is one shorter (1.91 Å) and one longer (2.15 Å) Mo(1)-O(4) bond length. Cu(1) is bonded to two equivalent O(1), two equivalent O(2), and two equivalent O(4) atoms to form distorted CuO6 octahedra that share corners with eight equivalent Mo(1)O6 octahedra and edges with two equivalent In(1)O6 octahedra. The corner-sharing octahedral tilt angles range from 44-56°. Both Cu(1)-O(1) bond lengths are 2.33 Å. Both Cu(1)-O(2) bond lengths are 2.14 Å. Both Cu(1)-O(4) bond lengths are 2.07 Å. In(1) is bonded to two equivalent O(1), two equivalent O(2), and two equivalent O(3) atoms to form distorted InO6 octahedra that share corners with eight equivalent Mo(1)O6 octahedra and edges with two equivalent Cu(1)O6 octahedra. The corner-sharing octahedral tilt angles range from 47-57°. Both In(1)-O(1) bond lengths are 2.17 Å. Both In(1)-O(2) bond lengths are 2.30 Å. Both In(1)-O(3) bond lengths are 2.14 Å. There are four inequivalent O sites. In the first O site, O(1) is bonded in a 3-coordinate geometry to one Mo(1), one Cu(1), and one In(1) atom. In the second O site, O(2) is bonded in a distorted trigonal planar geometry to one Mo(1), one Cu(1), and one In(1) atom. In the third O site, O(3) is bonded in a trigonal planar geometry to two equivalent Mo(1) and one In(1) atom. In the fourth O site, O(4) is bonded in a trigonal planar geometry to two equivalent Mo(1) and one Cu(1) atom.