LiSbMo2O8 crystallizes in the monoclinic C2/c space group. Li(1) is bonded to two equivalent O(1) and four equivalent O(2) atoms to form LiO6 octahedra that share corners with four equivalent Li(1)O6 octahedra, corners with four equivalent Mo(1)O6 octahedra, and edges with two equivalent Mo(1)O6 octahedra. The corner-sharing octahedral tilt angles range from 51-59°. Mo(1) is bonded to one O(2), one O(4), two equivalent O(1), and two equivalent O(3) atoms to form distorted MoO6 octahedra that share corners with two equivalent Li(1)O6 octahedra, corners with four equivalent Mo(1)O6 octahedra, and  an edgeedge with one Li(1)O6 octahedra. The corner-sharing octahedral tilt angles range from 42-53°. Sb(1) is bonded in a rectangular see-saw-like geometry to four equivalent O(4) atoms. There are four inequivalent O sites. In the first O site, O(1) is bonded in a 3-coordinate geometry to one Li(1) and two equivalent Mo(1) atoms. In the second O site, O(2) is bonded in a trigonal planar geometry to two equivalent Li(1) and one Mo(1) atom. In the third O site, O(3) is bonded in a distorted bent 150 degrees geometry to two equivalent Mo(1) atoms. In the fourth O site, O(4) is bonded in a trigonal planar geometry to one Mo(1) and two equivalent Sb(1) atoms.
LiSbMo2O8 crystallizes in the monoclinic C2/c space group. Li(1) is bonded to two equivalent O(1) and four equivalent O(2) atoms to form LiO6 octahedra that share corners with four equivalent Li(1)O6 octahedra, corners with four equivalent Mo(1)O6 octahedra, and edges with two equivalent Mo(1)O6 octahedra. The corner-sharing octahedral tilt angles range from 51-59°. Both Li(1)-O(1) bond lengths are 2.20 Å. There are two shorter (2.13 Å) and two longer (2.20 Å) Li(1)-O(2) bond lengths. Mo(1) is bonded to one O(2), one O(4), two equivalent O(1), and two equivalent O(3) atoms to form distorted MoO6 octahedra that share corners with two equivalent Li(1)O6 octahedra, corners with four equivalent Mo(1)O6 octahedra, and  an edgeedge with one Li(1)O6 octahedra. The corner-sharing octahedral tilt angles range from 42-53°. The Mo(1)-O(2) bond length is 1.76 Å. The Mo(1)-O(4) bond length is 2.11 Å. There is one shorter (1.82 Å) and one longer (2.23 Å) Mo(1)-O(1) bond length. There is one shorter (1.81 Å) and one longer (2.23 Å) Mo(1)-O(3) bond length. Sb(1) is bonded in a rectangular see-saw-like geometry to four equivalent O(4) atoms. There are two shorter (2.04 Å) and two longer (2.23 Å) Sb(1)-O(4) bond lengths. There are four inequivalent O sites. In the first O site, O(1) is bonded in a 3-coordinate geometry to one Li(1) and two equivalent Mo(1) atoms. In the second O site, O(2) is bonded in a trigonal planar geometry to two equivalent Li(1) and one Mo(1) atom. In the third O site, O(3) is bonded in a distorted bent 150 degrees geometry to two equivalent Mo(1) atoms. In the fourth O site, O(4) is bonded in a trigonal planar geometry to one Mo(1) and two equivalent Sb(1) atoms.