LiSn2(SO4)3 crystallizes in the trigonal R-3c space group. Li(1) is bonded to six equivalent O(1) atoms to form distorted LiO6 octahedra that share corners with six equivalent S(1)O4 tetrahedra and faces with two equivalent Sn(1)O6 octahedra. Sn(1) is bonded to three equivalent O(1) and three equivalent O(2) atoms to form SnO6 octahedra that share corners with six equivalent S(1)O4 tetrahedra and  a faceface with one Li(1)O6 octahedra. S(1) is bonded to two equivalent O(1) and two equivalent O(2) atoms to form SO4 tetrahedra that share corners with two equivalent Li(1)O6 octahedra and corners with four equivalent Sn(1)O6 octahedra. The corner-sharing octahedral tilt angles range from 29-53°. There are two inequivalent O sites. In the first O site, O(1) is bonded in a 3-coordinate geometry to one Li(1), one Sn(1), and one S(1) atom. In the second O site, O(2) is bonded in a bent 150 degrees geometry to one Sn(1) and one S(1) atom.
LiSn2(SO4)3 crystallizes in the trigonal R-3c space group. Li(1) is bonded to six equivalent O(1) atoms to form distorted LiO6 octahedra that share corners with six equivalent S(1)O4 tetrahedra and faces with two equivalent Sn(1)O6 octahedra. All Li(1)-O(1) bond lengths are 2.40 Å. Sn(1) is bonded to three equivalent O(1) and three equivalent O(2) atoms to form SnO6 octahedra that share corners with six equivalent S(1)O4 tetrahedra and  a faceface with one Li(1)O6 octahedra. All Sn(1)-O(1) bond lengths are 2.37 Å. All Sn(1)-O(2) bond lengths are 2.38 Å. S(1) is bonded to two equivalent O(1) and two equivalent O(2) atoms to form SO4 tetrahedra that share corners with two equivalent Li(1)O6 octahedra and corners with four equivalent Sn(1)O6 octahedra. The corner-sharing octahedral tilt angles range from 29-53°. Both S(1)-O(1) bond lengths are 1.51 Å. Both S(1)-O(2) bond lengths are 1.48 Å. There are two inequivalent O sites. In the first O site, O(1) is bonded in a 3-coordinate geometry to one Li(1), one Sn(1), and one S(1) atom. In the second O site, O(2) is bonded in a bent 150 degrees geometry to one Sn(1) and one S(1) atom.