Li2CoCSO7 crystallizes in the triclinic P1 space group. There are eight inequivalent Li sites. In the first Li site, Li(1) is bonded in a 5-coordinate geometry to one O(1), one O(13), one O(24), one O(6), and one O(9) atom. In the second Li site, Li(2) is bonded in a 5-coordinate geometry to one O(10), one O(14), one O(2), one O(23), and one O(5) atom. In the third Li site, Li(3) is bonded in a 5-coordinate geometry to one O(1), one O(13), one O(22), one O(6), and one O(9) atom. In the fourth Li site, Li(4) is bonded in a 5-coordinate geometry to one O(10), one O(14), one O(2), one O(21), and one O(5) atom. In the fifth Li site, Li(5) is bonded in a 5-coordinate geometry to one O(11), one O(15), one O(26), one O(3), and one O(8) atom. In the sixth Li site, Li(6) is bonded in a 5-coordinate geometry to one O(12), one O(16), one O(25), one O(4), and one O(7) atom. In the seventh Li site, Li(7) is bonded in a 5-coordinate geometry to one O(11), one O(15), one O(28), one O(3), and one O(8) atom. In the eighth Li site, Li(8) is bonded in a 5-coordinate geometry to one O(12), one O(16), one O(27), one O(4), and one O(7) atom. There are four inequivalent Co sites. In the first Co site, Co(1) is bonded to one O(10), one O(13), one O(20), one O(22), one O(24), and one O(6) atom to form distorted CoO6 octahedra that share  a cornercorner with one S(3)O4 tetrahedra,  a cornercorner with one S(4)O4 tetrahedra, and corners with two equivalent S(2)O4 tetrahedra. In the second Co site, Co(2) is bonded to one O(12), one O(15), one O(18), one O(26), one O(28), and one O(8) atom to form distorted CoO6 octahedra that share  a cornercorner with one S(1)O4 tetrahedra,  a cornercorner with one S(2)O4 tetrahedra, and corners with two equivalent S(4)O4 tetrahedra. In the third Co site, Co(3) is bonded to one O(14), one O(19), one O(21), one O(23), one O(5), and one O(9) atom to form distorted CoO6 octahedra that share  a cornercorner with one S(3)O4 tetrahedra,  a cornercorner with one S(4)O4 tetrahedra, and corners with two equivalent S(1)O4 tetrahedra. In the fourth Co site, Co(4) is bonded to one O(11), one O(16), one O(17), one O(25), one O(27), and one O(7) atom to form distorted CoO6 octahedra that share  a cornercorner with one S(1)O4 tetrahedra,  a cornercorner with one S(2)O4 tetrahedra, and corners with two equivalent S(3)O4 tetrahedra. There are four inequivalent C sites. In the first C site, C(1) is bonded in a trigonal planar geometry to one O(3), one O(5), and one O(9) atom. In the second C site, C(2) is bonded in a trigonal planar geometry to one O(10), one O(4), and one O(6) atom. In the third C site, C(3) is bonded in a trigonal planar geometry to one O(1), one O(11), and one O(7) atom. In the fourth C site, C(4) is bonded in a trigonal planar geometry to one O(12), one O(2), and one O(8) atom. There are four inequivalent S sites. In the first S site, S(1) is bonded to one O(15), one O(17), one O(21), and one O(23) atom to form SO4 tetrahedra that share  a cornercorner with one Co(2)O6 octahedra,  a cornercorner with one Co(4)O6 octahedra, and corners with two equivalent Co(3)O6 octahedra. The corner-sharing octahedral tilt angles range from 46-59°. In the second S site, S(2) is bonded to one O(16), one O(18), one O(22), and one O(24) atom to form SO4 tetrahedra that share  a cornercorner with one Co(2)O6 octahedra,  a cornercorner with one Co(4)O6 octahedra, and corners with two equivalent Co(1)O6 octahedra. The corner-sharing octahedral tilt angles range from 46-59°. In the third S site, S(3) is bonded to one O(13), one O(19), one O(25), and one O(27) atom to form SO4 tetrahedra that share  a cornercorner with one Co(1)O6 octahedra,  a cornercorner with one Co(3)O6 octahedra, and corners with two equivalent Co(4)O6 octahedra. The corner-sharing octahedral tilt angles range from 46-59°. In the fourth S site, S(4) is bonded to one O(14), one O(20), one O(26), and one O(28) atom to form SO4 tetrahedra that share  a cornercorner with one Co(1)O6 octahedra,  a cornercorner with one Co(3)O6 octahedra, and corners with two equivalent Co(2)O6 octahedra. The corner-sharing octahedral tilt angles range from 46-59°. There are twenty-eight inequivalent O sites. In the first O site, O(1) is bonded in a trigonal planar geometry to one Li(1), one Li(3), and one C(3) atom. In the second O site, O(2) is bonded in a trigonal planar geometry to one Li(2), one Li(4), and one C(4) atom. In the third O site, O(3) is bonded in a trigonal planar geometry to one Li(5), one Li(7), and one C(1) atom. In the fourth O site, O(4) is bonded in a trigonal planar geometry to one Li(6), one Li(8), and one C(2) atom. In the fifth O site, O(5) is bonded in a rectangular see-saw-like geometry to one Li(2), one Li(4), one Co(3), and one C(1) atom. In the sixth O site, O(6) is bonded in a distorted rectangular see-saw-like geometry to one Li(1), one Li(3), one Co(1), and one C(2) atom. In the seventh O site, O(7) is bonded in a rectangular see-saw-like geometry to one Li(6), one Li(8), one Co(4), and one C(3) atom. In the eighth O site, O(8) is bonded in a rectangular see-saw-like geometry to one Li(5), one Li(7), one Co(2), and one C(4) atom. In the ninth O site, O(9) is bonded in a distorted tetrahedral geometry to one Li(1), one Li(3), one Co(3), and one C(1) atom. In the tenth O site, O(10) is bonded in a distorted tetrahedral geometry to one Li(2), one Li(4), one Co(1), and one C(2) atom. In the eleventh O site, O(11) is bonded in a distorted tetrahedral geometry to one Li(5), one Li(7), one Co(4), and one C(3) atom. In the twelfth O site, O(12) is bonded in a distorted tetrahedral geometry to one Li(6), one Li(8), one Co(2), and one C(4) atom. In the thirteenth O site, O(13) is bonded in a 4-coordinate geometry to one Li(1), one Li(3), one Co(1), and one S(3) atom. In the fourteenth O site, O(14) is bonded in a 4-coordinate geometry to one Li(2), one Li(4), one Co(3), and one S(4) atom. In the fifteenth O site, O(15) is bonded in a 4-coordinate geometry to one Li(5), one Li(7), one Co(2), and one S(1) atom. In the sixteenth O site, O(16) is bonded in a 4-coordinate geometry to one Li(6), one Li(8), one Co(4), and one S(2) atom. In the seventeenth O site, O(17) is bonded in a bent 120 degrees geometry to one Co(4) and one S(1) atom. In the eighteenth O site, O(18) is bonded in a bent 120 degrees geometry to one Co(2) and one S(2) atom. In the nineteenth O site, O(19) is bonded in a bent 120 degrees geometry to one Co(3) and one S(3) atom. In the twentieth O site, O(20) is bonded in a bent 120 degrees geometry to one Co(1) and one S(4) atom. In the twenty-first O site, O(21) is bonded in a 3-coordinate geometry to one Li(4), one Co(3), and one S(1) atom. In the twenty-second O site, O(22) is bonded in a 3-coordinate geometry to one Li(3), one Co(1), and one S(2) atom. In the twenty-third O site, O(23) is bonded in a 3-coordinate geometry to one Li(2), one Co(3), and one S(1) atom. In the twenty-fourth O site, O(24) is bonded in a 3-coordinate geometry to one Li(1), one Co(1), and one S(2) atom. In the twenty-fifth O site, O(25) is bonded in a 3-coordinate geometry to one Li(6), one Co(4), and one S(3) atom. In the twenty-sixth O site, O(26) is bonded in a 3-coordinate geometry to one Li(5), one Co(2), and one S(4) atom. In the twenty-seventh O site, O(27) is bonded in a 3-coordinate geometry to one Li(8), one Co(4), and one S(3) atom. In the twenty-eighth O site, O(28) is bonded in a 3-coordinate geometry to one Li(7), one Co(2), and one S(4) atom.
Li2CoCSO7 crystallizes in the triclinic P1 space group. There are eight inequivalent Li sites. In the first Li site, Li(1) is bonded in a 5-coordinate geometry to one O(1), one O(13), one O(24), one O(6), and one O(9) atom. The Li(1)-O(1) bond length is 2.02 Å. The Li(1)-O(13) bond length is 2.54 Å. The Li(1)-O(24) bond length is 2.25 Å. The Li(1)-O(6) bond length is 2.09 Å. The Li(1)-O(9) bond length is 2.12 Å. In the second Li site, Li(2) is bonded in a 5-coordinate geometry to one O(10), one O(14), one O(2), one O(23), and one O(5) atom. The Li(2)-O(10) bond length is 2.12 Å. The Li(2)-O(14) bond length is 2.57 Å. The Li(2)-O(2) bond length is 2.02 Å. The Li(2)-O(23) bond length is 2.26 Å. The Li(2)-O(5) bond length is 2.09 Å. In the third Li site, Li(3) is bonded in a 5-coordinate geometry to one O(1), one O(13), one O(22), one O(6), and one O(9) atom. The Li(3)-O(1) bond length is 2.01 Å. The Li(3)-O(13) bond length is 2.57 Å. The Li(3)-O(22) bond length is 2.23 Å. The Li(3)-O(6) bond length is 2.05 Å. The Li(3)-O(9) bond length is 2.17 Å. In the fourth Li site, Li(4) is bonded in a 5-coordinate geometry to one O(10), one O(14), one O(2), one O(21), and one O(5) atom. The Li(4)-O(10) bond length is 2.18 Å. The Li(4)-O(14) bond length is 2.56 Å. The Li(4)-O(2) bond length is 2.01 Å. The Li(4)-O(21) bond length is 2.23 Å. The Li(4)-O(5) bond length is 2.06 Å. In the fifth Li site, Li(5) is bonded in a 5-coordinate geometry to one O(11), one O(15), one O(26), one O(3), and one O(8) atom. The Li(5)-O(11) bond length is 2.16 Å. The Li(5)-O(15) bond length is 2.56 Å. The Li(5)-O(26) bond length is 2.22 Å. The Li(5)-O(3) bond length is 2.01 Å. The Li(5)-O(8) bond length is 2.06 Å. In the sixth Li site, Li(6) is bonded in a 5-coordinate geometry to one O(12), one O(16), one O(25), one O(4), and one O(7) atom. The Li(6)-O(12) bond length is 2.16 Å. The Li(6)-O(16) bond length is 2.55 Å. The Li(6)-O(25) bond length is 2.24 Å. The Li(6)-O(4) bond length is 2.01 Å. The Li(6)-O(7) bond length is 2.06 Å. In the seventh Li site, Li(7) is bonded in a 5-coordinate geometry to one O(11), one O(15), one O(28), one O(3), and one O(8) atom. The Li(7)-O(11) bond length is 2.13 Å. The Li(7)-O(15) bond length is 2.57 Å. The Li(7)-O(28) bond length is 2.24 Å. The Li(7)-O(3) bond length is 2.01 Å. The Li(7)-O(8) bond length is 2.08 Å. In the eighth Li site, Li(8) is bonded in a 5-coordinate geometry to one O(12), one O(16), one O(27), one O(4), and one O(7) atom. The Li(8)-O(12) bond length is 2.12 Å. The Li(8)-O(16) bond length is 2.57 Å. The Li(8)-O(27) bond length is 2.24 Å. The Li(8)-O(4) bond length is 2.02 Å. The Li(8)-O(7) bond length is 2.08 Å. There are four inequivalent Co sites. In the first Co site, Co(1) is bonded to one O(10), one O(13), one O(20), one O(22), one O(24), and one O(6) atom to form distorted CoO6 octahedra that share  a cornercorner with one S(3)O4 tetrahedra,  a cornercorner with one S(4)O4 tetrahedra, and corners with two equivalent S(2)O4 tetrahedra. The Co(1)-O(10) bond length is 2.12 Å. The Co(1)-O(13) bond length is 2.13 Å. The Co(1)-O(20) bond length is 2.08 Å. The Co(1)-O(22) bond length is 2.05 Å. The Co(1)-O(24) bond length is 2.09 Å. The Co(1)-O(6) bond length is 2.17 Å. In the second Co site, Co(2) is bonded to one O(12), one O(15), one O(18), one O(26), one O(28), and one O(8) atom to form distorted CoO6 octahedra that share  a cornercorner with one S(1)O4 tetrahedra,  a cornercorner with one S(2)O4 tetrahedra, and corners with two equivalent S(4)O4 tetrahedra. The Co(2)-O(12) bond length is 2.11 Å. The Co(2)-O(15) bond length is 2.14 Å. The Co(2)-O(18) bond length is 2.08 Å. The Co(2)-O(26) bond length is 2.06 Å. The Co(2)-O(28) bond length is 2.08 Å. The Co(2)-O(8) bond length is 2.15 Å. In the third Co site, Co(3) is bonded to one O(14), one O(19), one O(21), one O(23), one O(5), and one O(9) atom to form distorted CoO6 octahedra that share  a cornercorner with one S(3)O4 tetrahedra,  a cornercorner with one S(4)O4 tetrahedra, and corners with two equivalent S(1)O4 tetrahedra. The Co(3)-O(14) bond length is 2.14 Å. The Co(3)-O(19) bond length is 2.08 Å. The Co(3)-O(21) bond length is 2.06 Å. The Co(3)-O(23) bond length is 2.08 Å. The Co(3)-O(5) bond length is 2.15 Å. The Co(3)-O(9) bond length is 2.11 Å. In the fourth Co site, Co(4) is bonded to one O(11), one O(16), one O(17), one O(25), one O(27), and one O(7) atom to form distorted CoO6 octahedra that share  a cornercorner with one S(1)O4 tetrahedra,  a cornercorner with one S(2)O4 tetrahedra, and corners with two equivalent S(3)O4 tetrahedra. The Co(4)-O(11) bond length is 2.11 Å. The Co(4)-O(16) bond length is 2.15 Å. The Co(4)-O(17) bond length is 2.08 Å. The Co(4)-O(25) bond length is 2.07 Å. The Co(4)-O(27) bond length is 2.08 Å. The Co(4)-O(7) bond length is 2.15 Å. There are four inequivalent C sites. In the first C site, C(1) is bonded in a trigonal planar geometry to one O(3), one O(5), and one O(9) atom. The C(1)-O(3) bond length is 1.27 Å. The C(1)-O(5) bond length is 1.31 Å. The C(1)-O(9) bond length is 1.32 Å. In the second C site, C(2) is bonded in a trigonal planar geometry to one O(10), one O(4), and one O(6) atom. The C(2)-O(10) bond length is 1.32 Å. The C(2)-O(4) bond length is 1.27 Å. The C(2)-O(6) bond length is 1.31 Å. In the third C site, C(3) is bonded in a trigonal planar geometry to one O(1), one O(11), and one O(7) atom. The C(3)-O(1) bond length is 1.27 Å. The C(3)-O(11) bond length is 1.32 Å. The C(3)-O(7) bond length is 1.31 Å. In the fourth C site, C(4) is bonded in a trigonal planar geometry to one O(12), one O(2), and one O(8) atom. The C(4)-O(12) bond length is 1.32 Å. The C(4)-O(2) bond length is 1.27 Å. The C(4)-O(8) bond length is 1.31 Å. There are four inequivalent S sites. In the first S site, S(1) is bonded to one O(15), one O(17), one O(21), and one O(23) atom to form SO4 tetrahedra that share  a cornercorner with one Co(2)O6 octahedra,  a cornercorner with one Co(4)O6 octahedra, and corners with two equivalent Co(3)O6 octahedra. The corner-sharing octahedral tilt angles range from 46-59°. The S(1)-O(15) bond length is 1.49 Å. The S(1)-O(17) bond length is 1.50 Å. The S(1)-O(21) bond length is 1.49 Å. The S(1)-O(23) bond length is 1.48 Å. In the second S site, S(2) is bonded to one O(16), one O(18), one O(22), and one O(24) atom to form SO4 tetrahedra that share  a cornercorner with one Co(2)O6 octahedra,  a cornercorner with one Co(4)O6 octahedra, and corners with two equivalent Co(1)O6 octahedra. The corner-sharing octahedral tilt angles range from 46-59°. The S(2)-O(16) bond length is 1.49 Å. The S(2)-O(18) bond length is 1.50 Å. The S(2)-O(22) bond length is 1.49 Å. The S(2)-O(24) bond length is 1.48 Å. In the third S site, S(3) is bonded to one O(13), one O(19), one O(25), and one O(27) atom to form SO4 tetrahedra that share  a cornercorner with one Co(1)O6 octahedra,  a cornercorner with one Co(3)O6 octahedra, and corners with two equivalent Co(4)O6 octahedra. The corner-sharing octahedral tilt angles range from 46-59°. The S(3)-O(13) bond length is 1.49 Å. The S(3)-O(19) bond length is 1.50 Å. The S(3)-O(25) bond length is 1.49 Å. The S(3)-O(27) bond length is 1.49 Å. In the fourth S site, S(4) is bonded to one O(14), one O(20), one O(26), and one O(28) atom to form SO4 tetrahedra that share  a cornercorner with one Co(1)O6 octahedra,  a cornercorner with one Co(3)O6 octahedra, and corners with two equivalent Co(2)O6 octahedra. The corner-sharing octahedral tilt angles range from 46-59°. The S(4)-O(14) bond length is 1.49 Å. The S(4)-O(20) bond length is 1.50 Å. The S(4)-O(26) bond length is 1.49 Å. The S(4)-O(28) bond length is 1.49 Å. There are twenty-eight inequivalent O sites. In the first O site, O(1) is bonded in a trigonal planar geometry to one Li(1), one Li(3), and one C(3) atom. In the second O site, O(2) is bonded in a trigonal planar geometry to one Li(2), one Li(4), and one C(4) atom. In the third O site, O(3) is bonded in a trigonal planar geometry to one Li(5), one Li(7), and one C(1) atom. In the fourth O site, O(4) is bonded in a trigonal planar geometry to one Li(6), one Li(8), and one C(2) atom. In the fifth O site, O(5) is bonded in a rectangular see-saw-like geometry to one Li(2), one Li(4), one Co(3), and one C(1) atom. In the sixth O site, O(6) is bonded in a distorted rectangular see-saw-like geometry to one Li(1), one Li(3), one Co(1), and one C(2) atom. In the seventh O site, O(7) is bonded in a rectangular see-saw-like geometry to one Li(6), one Li(8), one Co(4), and one C(3) atom. In the eighth O site, O(8) is bonded in a rectangular see-saw-like geometry to one Li(5), one Li(7), one Co(2), and one C(4) atom. In the ninth O site, O(9) is bonded in a distorted tetrahedral geometry to one Li(1), one Li(3), one Co(3), and one C(1) atom. In the tenth O site, O(10) is bonded in a distorted tetrahedral geometry to one Li(2), one Li(4), one Co(1), and one C(2) atom. In the eleventh O site, O(11) is bonded in a distorted tetrahedral geometry to one Li(5), one Li(7), one Co(4), and one C(3) atom. In the twelfth O site, O(12) is bonded in a distorted tetrahedral geometry to one Li(6), one Li(8), one Co(2), and one C(4) atom. In the thirteenth O site, O(13) is bonded in a 4-coordinate geometry to one Li(1), one Li(3), one Co(1), and one S(3) atom. In the fourteenth O site, O(14) is bonded in a 4-coordinate geometry to one Li(2), one Li(4), one Co(3), and one S(4) atom. In the fifteenth O site, O(15) is bonded in a 4-coordinate geometry to one Li(5), one Li(7), one Co(2), and one S(1) atom. In the sixteenth O site, O(16) is bonded in a 4-coordinate geometry to one Li(6), one Li(8), one Co(4), and one S(2) atom. In the seventeenth O site, O(17) is bonded in a bent 120 degrees geometry to one Co(4) and one S(1) atom. In the eighteenth O site, O(18) is bonded in a bent 120 degrees geometry to one Co(2) and one S(2) atom. In the nineteenth O site, O(19) is bonded in a bent 120 degrees geometry to one Co(3) and one S(3) atom. In the twentieth O site, O(20) is bonded in a bent 120 degrees geometry to one Co(1) and one S(4) atom. In the twenty-first O site, O(21) is bonded in a 3-coordinate geometry to one Li(4), one Co(3), and one S(1) atom. In the twenty-second O site, O(22) is bonded in a 3-coordinate geometry to one Li(3), one Co(1), and one S(2) atom. In the twenty-third O site, O(23) is bonded in a 3-coordinate geometry to one Li(2), one Co(3), and one S(1) atom. In the twenty-fourth O site, O(24) is bonded in a 3-coordinate geometry to one Li(1), one Co(1), and one S(2) atom. In the twenty-fifth O site, O(25) is bonded in a 3-coordinate geometry to one Li(6), one Co(4), and one S(3) atom. In the twenty-sixth O site, O(26) is bonded in a 3-coordinate geometry to one Li(5), one Co(2), and one S(4) atom. In the twenty-seventh O site, O(27) is bonded in a 3-coordinate geometry to one Li(8), one Co(4), and one S(3) atom. In the twenty-eighth O site, O(28) is bonded in a 3-coordinate geometry to one Li(7), one Co(2), and one S(4) atom.