LiIn(MoO4)2 crystallizes in the monoclinic C2/c space group. Li(1) is bonded to two equivalent O(2) and four equivalent O(1) atoms to form edge-sharing LiO6 octahedra. Mo(1) is bonded in a 6-coordinate geometry to one O(1), one O(3), two equivalent O(2), and two equivalent O(4) atoms. In(1) is bonded to two equivalent O(4) and four equivalent O(3) atoms to form distorted edge-sharing InO6 octahedra. There are four inequivalent O sites. In the first O site, O(1) is bonded in a distorted trigonal planar geometry to two equivalent Li(1) and one Mo(1) atom. In the second O site, O(2) is bonded in a distorted trigonal planar geometry to one Li(1) and two equivalent Mo(1) atoms. In the third O site, O(3) is bonded in a distorted trigonal planar geometry to one Mo(1) and two equivalent In(1) atoms. In the fourth O site, O(4) is bonded in a trigonal planar geometry to two equivalent Mo(1) and one In(1) atom.
LiIn(MoO4)2 crystallizes in the monoclinic C2/c space group. Li(1) is bonded to two equivalent O(2) and four equivalent O(1) atoms to form edge-sharing LiO6 octahedra. Both Li(1)-O(2) bond lengths are 2.15 Å. There are two shorter (2.11 Å) and two longer (2.23 Å) Li(1)-O(1) bond lengths. Mo(1) is bonded in a 6-coordinate geometry to one O(1), one O(3), two equivalent O(2), and two equivalent O(4) atoms. The Mo(1)-O(1) bond length is 1.74 Å. The Mo(1)-O(3) bond length is 1.91 Å. There is one shorter (1.82 Å) and one longer (2.36 Å) Mo(1)-O(2) bond length. There is one shorter (2.05 Å) and one longer (2.08 Å) Mo(1)-O(4) bond length. In(1) is bonded to two equivalent O(4) and four equivalent O(3) atoms to form distorted edge-sharing InO6 octahedra. Both In(1)-O(4) bond lengths are 2.14 Å. There are two shorter (2.18 Å) and two longer (2.31 Å) In(1)-O(3) bond lengths. There are four inequivalent O sites. In the first O site, O(1) is bonded in a distorted trigonal planar geometry to two equivalent Li(1) and one Mo(1) atom. In the second O site, O(2) is bonded in a distorted trigonal planar geometry to one Li(1) and two equivalent Mo(1) atoms. In the third O site, O(3) is bonded in a distorted trigonal planar geometry to one Mo(1) and two equivalent In(1) atoms. In the fourth O site, O(4) is bonded in a trigonal planar geometry to two equivalent Mo(1) and one In(1) atom.