LiCoCSO7 crystallizes in the monoclinic P2_1 space group. Li(1) is bonded in a 5-coordinate geometry to one O(1), one O(2), one O(3), one O(5), and one O(6) atom. Co(1) is bonded to one O(2), one O(3), one O(4), one O(5), one O(6), and one O(7) atom to form CoO6 octahedra that share corners with four equivalent S(1)O4 tetrahedra. C(1) is bonded in a trigonal planar geometry to one O(1), one O(2), and one O(3) atom. S(1) is bonded to one O(4), one O(5), one O(6), and one O(7) atom to form SO4 tetrahedra that share corners with four equivalent Co(1)O6 octahedra. The corner-sharing octahedral tilt angles range from 41-49°. There are seven inequivalent O sites. In the first O site, O(1) is bonded in a distorted bent 120 degrees geometry to one Li(1) and one C(1) atom. In the second O site, O(2) is bonded in a distorted T-shaped geometry to one Li(1), one Co(1), and one C(1) atom. In the third O site, O(3) is bonded in a distorted trigonal planar geometry to one Li(1), one Co(1), and one C(1) atom. In the fourth O site, O(4) is bonded in a bent 150 degrees geometry to one Co(1) and one S(1) atom. In the fifth O site, O(5) is bonded in a 3-coordinate geometry to one Li(1), one Co(1), and one S(1) atom. In the sixth O site, O(6) is bonded in a 3-coordinate geometry to one Li(1), one Co(1), and one S(1) atom. In the seventh O site, O(7) is bonded in a bent 120 degrees geometry to one Co(1) and one S(1) atom.
LiCoCSO7 crystallizes in the monoclinic P2_1 space group. Li(1) is bonded in a 5-coordinate geometry to one O(1), one O(2), one O(3), one O(5), and one O(6) atom. The Li(1)-O(1) bond length is 1.95 Å. The Li(1)-O(2) bond length is 2.10 Å. The Li(1)-O(3) bond length is 2.08 Å. The Li(1)-O(5) bond length is 2.33 Å. The Li(1)-O(6) bond length is 2.47 Å. Co(1) is bonded to one O(2), one O(3), one O(4), one O(5), one O(6), and one O(7) atom to form CoO6 octahedra that share corners with four equivalent S(1)O4 tetrahedra. The Co(1)-O(2) bond length is 2.06 Å. The Co(1)-O(3) bond length is 2.06 Å. The Co(1)-O(4) bond length is 1.95 Å. The Co(1)-O(5) bond length is 2.17 Å. The Co(1)-O(6) bond length is 2.06 Å. The Co(1)-O(7) bond length is 2.04 Å. C(1) is bonded in a trigonal planar geometry to one O(1), one O(2), and one O(3) atom. The C(1)-O(1) bond length is 1.25 Å. The C(1)-O(2) bond length is 1.31 Å. The C(1)-O(3) bond length is 1.32 Å. S(1) is bonded to one O(4), one O(5), one O(6), and one O(7) atom to form SO4 tetrahedra that share corners with four equivalent Co(1)O6 octahedra. The corner-sharing octahedral tilt angles range from 41-49°. The S(1)-O(4) bond length is 1.49 Å. The S(1)-O(5) bond length is 1.48 Å. The S(1)-O(6) bond length is 1.49 Å. The S(1)-O(7) bond length is 1.50 Å. There are seven inequivalent O sites. In the first O site, O(1) is bonded in a distorted bent 120 degrees geometry to one Li(1) and one C(1) atom. In the second O site, O(2) is bonded in a distorted T-shaped geometry to one Li(1), one Co(1), and one C(1) atom. In the third O site, O(3) is bonded in a distorted trigonal planar geometry to one Li(1), one Co(1), and one C(1) atom. In the fourth O site, O(4) is bonded in a bent 150 degrees geometry to one Co(1) and one S(1) atom. In the fifth O site, O(5) is bonded in a 3-coordinate geometry to one Li(1), one Co(1), and one S(1) atom. In the sixth O site, O(6) is bonded in a 3-coordinate geometry to one Li(1), one Co(1), and one S(1) atom. In the seventh O site, O(7) is bonded in a bent 120 degrees geometry to one Co(1) and one S(1) atom.