LiSbO3 crystallizes in the triclinic P-1 space group. Li(1) is bonded to one O(2), one O(3), and two equivalent O(1) atoms to form LiO4 tetrahedra that share corners with eight equivalent Sb(1)O6 octahedra and  an edgeedge with one Li(1)O4 tetrahedra. The corner-sharing octahedral tilt angles range from 58-62°. Sb(1) is bonded to two equivalent O(1), two equivalent O(2), and two equivalent O(3) atoms to form SbO6 octahedra that share corners with eight equivalent Li(1)O4 tetrahedra and edges with three equivalent Sb(1)O6 octahedra. There are three inequivalent O sites. In the first O site, O(1) is bonded to two equivalent Li(1) and two equivalent Sb(1) atoms to form distorted edge-sharing OLi2Sb2 tetrahedra. In the second O site, O(2) is bonded in a distorted trigonal planar geometry to one Li(1) and two equivalent Sb(1) atoms. In the third O site, O(3) is bonded in a distorted trigonal planar geometry to one Li(1) and two equivalent Sb(1) atoms.
LiSbO3 crystallizes in the triclinic P-1 space group. Li(1) is bonded to one O(2), one O(3), and two equivalent O(1) atoms to form LiO4 tetrahedra that share corners with eight equivalent Sb(1)O6 octahedra and  an edgeedge with one Li(1)O4 tetrahedra. The corner-sharing octahedral tilt angles range from 58-62°. The Li(1)-O(2) bond length is 1.95 Å. The Li(1)-O(3) bond length is 1.95 Å. There is one shorter (2.00 Å) and one longer (2.13 Å) Li(1)-O(1) bond length. Sb(1) is bonded to two equivalent O(1), two equivalent O(2), and two equivalent O(3) atoms to form SbO6 octahedra that share corners with eight equivalent Li(1)O4 tetrahedra and edges with three equivalent Sb(1)O6 octahedra. There is one shorter (2.01 Å) and one longer (2.02 Å) Sb(1)-O(1) bond length. Both Sb(1)-O(2) bond lengths are 1.99 Å. Both Sb(1)-O(3) bond lengths are 1.99 Å. There are three inequivalent O sites. In the first O site, O(1) is bonded to two equivalent Li(1) and two equivalent Sb(1) atoms to form distorted edge-sharing OLi2Sb2 tetrahedra. In the second O site, O(2) is bonded in a distorted trigonal planar geometry to one Li(1) and two equivalent Sb(1) atoms. In the third O site, O(3) is bonded in a distorted trigonal planar geometry to one Li(1) and two equivalent Sb(1) atoms.