LiCo2(SO4)3 crystallizes in the trigonal R-3c space group. Li(1) is bonded in a 6-coordinate geometry to six equivalent O(1) atoms. Co(1) is bonded to three equivalent O(1) and three equivalent O(2) atoms to form CoO6 octahedra that share corners with six equivalent S(1)O4 tetrahedra. S(1) is bonded to two equivalent O(1) and two equivalent O(2) atoms to form SO4 tetrahedra that share corners with four equivalent Co(1)O6 octahedra. The corner-sharing octahedral tilt angles range from 26-44°. 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 Co(1), and one S(1) atom. In the second O site, O(2) is bonded in a bent 150 degrees geometry to one Co(1) and one S(1) atom.
LiCo2(SO4)3 crystallizes in the trigonal R-3c space group. Li(1) is bonded in a 6-coordinate geometry to six equivalent O(1) atoms. All Li(1)-O(1) bond lengths are 2.29 Å. Co(1) is bonded to three equivalent O(1) and three equivalent O(2) atoms to form CoO6 octahedra that share corners with six equivalent S(1)O4 tetrahedra. All Co(1)-O(1) bond lengths are 2.07 Å. All Co(1)-O(2) bond lengths are 1.99 Å. S(1) is bonded to two equivalent O(1) and two equivalent O(2) atoms to form SO4 tetrahedra that share corners with four equivalent Co(1)O6 octahedra. The corner-sharing octahedral tilt angles range from 26-44°. Both S(1)-O(1) bond lengths are 1.49 Å. Both S(1)-O(2) bond lengths are 1.47 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 Co(1), and one S(1) atom. In the second O site, O(2) is bonded in a bent 150 degrees geometry to one Co(1) and one S(1) atom.