LiMo3InO8 is beta indium sulfide-derived structured and crystallizes in the trigonal P3m1 space group. Li(1) is bonded in a rectangular see-saw-like geometry to one O(1) and three equivalent O(4) atoms. Mo(1) is bonded to one O(1), one O(3), two equivalent O(2), and two equivalent O(4) atoms to form MoO6 octahedra that share corners with four equivalent In(1)O6 octahedra and edges with four equivalent Mo(1)O6 octahedra. The corner-sharing octahedral tilt angles range from 41-55°. In(1) is bonded to three equivalent O(2) and three equivalent O(4) atoms to form InO6 octahedra that share corners with twelve equivalent Mo(1)O6 octahedra. The corner-sharing octahedral tilt angles range from 41-55°. There are four inequivalent O sites. In the first O site, O(1) is bonded to one Li(1) and three equivalent Mo(1) atoms to form a mixture of distorted corner and edge-sharing OLiMo3 tetrahedra. In the second O site, O(2) is bonded in a 3-coordinate geometry to two equivalent Mo(1) and one In(1) atom. In the third O site, O(3) is bonded in a 3-coordinate geometry to three equivalent Mo(1) atoms. In the fourth O site, O(4) is bonded to one Li(1), two equivalent Mo(1), and one In(1) atom to form distorted OLiInMo2 trigonal pyramids that share  a cornercorner with one O(1)LiMo3 tetrahedra, corners with two equivalent O(4)LiInMo2 trigonal pyramids,  an edgeedge with one O(1)LiMo3 tetrahedra, and edges with two equivalent O(4)LiInMo2 trigonal pyramids.
LiMo3InO8 is beta indium sulfide-derived structured and crystallizes in the trigonal P3m1 space group. Li(1) is bonded in a rectangular see-saw-like geometry to one O(1) and three equivalent O(4) atoms. The Li(1)-O(1) bond length is 1.84 Å. All Li(1)-O(4) bond lengths are 1.96 Å. Mo(1) is bonded to one O(1), one O(3), two equivalent O(2), and two equivalent O(4) atoms to form MoO6 octahedra that share corners with four equivalent In(1)O6 octahedra and edges with four equivalent Mo(1)O6 octahedra. The corner-sharing octahedral tilt angles range from 41-55°. The Mo(1)-O(1) bond length is 2.13 Å. The Mo(1)-O(3) bond length is 2.06 Å. Both Mo(1)-O(2) bond lengths are 2.00 Å. Both Mo(1)-O(4) bond lengths are 2.10 Å. In(1) is bonded to three equivalent O(2) and three equivalent O(4) atoms to form InO6 octahedra that share corners with twelve equivalent Mo(1)O6 octahedra. The corner-sharing octahedral tilt angles range from 41-55°. All In(1)-O(2) bond lengths are 2.23 Å. All In(1)-O(4) bond lengths are 2.19 Å. There are four inequivalent O sites. In the first O site, O(1) is bonded to one Li(1) and three equivalent Mo(1) atoms to form a mixture of distorted corner and edge-sharing OLiMo3 tetrahedra. In the second O site, O(2) is bonded in a 3-coordinate geometry to two equivalent Mo(1) and one In(1) atom. In the third O site, O(3) is bonded in a 3-coordinate geometry to three equivalent Mo(1) atoms. In the fourth O site, O(4) is bonded to one Li(1), two equivalent Mo(1), and one In(1) atom to form distorted OLiInMo2 trigonal pyramids that share  a cornercorner with one O(1)LiMo3 tetrahedra, corners with two equivalent O(4)LiInMo2 trigonal pyramids,  an edgeedge with one O(1)LiMo3 tetrahedra, and edges with two equivalent O(4)LiInMo2 trigonal pyramids.