Li2CrCo3O8 is Spinel-derived structured and crystallizes in the triclinic P-1 space group. There are two inequivalent Li sites. In the first Li site, Li(1) is bonded to one O(2), one O(3), one O(5), and one O(7) atom to form LiO4 tetrahedra that share  a cornercorner with one Co(4)O6 octahedra,  a cornercorner with one Co(5)O6 octahedra,  a cornercorner with one Co(6)O6 octahedra, corners with two equivalent Co(1)O6 octahedra, corners with two equivalent Co(2)O6 octahedra, corners with two equivalent Co(3)O6 octahedra, and corners with three equivalent Cr(1)O6 octahedra. The corner-sharing octahedral tilt angles range from 57-62°. In the second Li site, Li(2) is bonded to one O(1), one O(4), one O(6), and one O(8) atom to form LiO4 tetrahedra that share  a cornercorner with one Co(1)O6 octahedra,  a cornercorner with one Co(2)O6 octahedra,  a cornercorner with one Co(3)O6 octahedra, corners with two equivalent Co(4)O6 octahedra, corners with two equivalent Co(5)O6 octahedra, corners with two equivalent Co(6)O6 octahedra, and corners with three equivalent Cr(1)O6 octahedra. The corner-sharing octahedral tilt angles range from 54-62°. Cr(1) is bonded to one O(3), one O(4), one O(5), one O(6), one O(7), and one O(8) atom to form CrO6 octahedra that share corners with three equivalent Li(1)O4 tetrahedra, corners with three equivalent Li(2)O4 tetrahedra,  an edgeedge with one Co(1)O6 octahedra,  an edgeedge with one Co(2)O6 octahedra,  an edgeedge with one Co(3)O6 octahedra,  an edgeedge with one Co(4)O6 octahedra,  an edgeedge with one Co(5)O6 octahedra, and  an edgeedge with one Co(6)O6 octahedra. There are six inequivalent Co sites. In the first Co site, Co(1) is bonded to two equivalent O(1), two equivalent O(3), and two equivalent O(7) atoms to form CoO6 octahedra that share corners with two equivalent Li(2)O4 tetrahedra, corners with four equivalent Li(1)O4 tetrahedra, edges with two equivalent Cr(1)O6 octahedra, edges with two equivalent Co(2)O6 octahedra, and edges with two equivalent Co(3)O6 octahedra. In the second Co site, Co(2) is bonded to two equivalent O(1), two equivalent O(5), and two equivalent O(7) atoms to form CoO6 octahedra that share corners with two equivalent Li(2)O4 tetrahedra, corners with four equivalent Li(1)O4 tetrahedra, edges with two equivalent Cr(1)O6 octahedra, edges with two equivalent Co(1)O6 octahedra, and edges with two equivalent Co(3)O6 octahedra. In the third Co site, Co(3) is bonded to two equivalent O(1), two equivalent O(3), and two equivalent O(5) atoms to form CoO6 octahedra that share corners with two equivalent Li(2)O4 tetrahedra, corners with four equivalent Li(1)O4 tetrahedra, edges with two equivalent Cr(1)O6 octahedra, edges with two equivalent Co(1)O6 octahedra, and edges with two equivalent Co(2)O6 octahedra. In the fourth Co site, Co(4) is bonded to two equivalent O(2), two equivalent O(4), and two equivalent O(8) atoms to form CoO6 octahedra that share corners with two equivalent Li(1)O4 tetrahedra, corners with four equivalent Li(2)O4 tetrahedra, edges with two equivalent Cr(1)O6 octahedra, edges with two equivalent Co(5)O6 octahedra, and edges with two equivalent Co(6)O6 octahedra. In the fifth Co site, Co(5) is bonded to two equivalent O(2), two equivalent O(6), and two equivalent O(8) atoms to form CoO6 octahedra that share corners with two equivalent Li(1)O4 tetrahedra, corners with four equivalent Li(2)O4 tetrahedra, edges with two equivalent Cr(1)O6 octahedra, edges with two equivalent Co(4)O6 octahedra, and edges with two equivalent Co(6)O6 octahedra. In the sixth Co site, Co(6) is bonded to two equivalent O(2), two equivalent O(4), and two equivalent O(6) atoms to form CoO6 octahedra that share corners with two equivalent Li(1)O4 tetrahedra, corners with four equivalent Li(2)O4 tetrahedra, edges with two equivalent Cr(1)O6 octahedra, edges with two equivalent Co(4)O6 octahedra, and edges with two equivalent Co(5)O6 octahedra. There are eight inequivalent O sites. In the first O site, O(1) is bonded in a rectangular see-saw-like geometry to one Li(2), one Co(1), one Co(2), and one Co(3) atom. In the second O site, O(2) is bonded in a distorted rectangular see-saw-like geometry to one Li(1), one Co(4), one Co(5), and one Co(6) atom. In the third O site, O(3) is bonded in a distorted rectangular see-saw-like geometry to one Li(1), one Cr(1), one Co(1), and one Co(3) atom. In the fourth O site, O(4) is bonded to one Li(2), one Cr(1), one Co(4), and one Co(6) atom to form distorted corner-sharing OLiCrCo2 tetrahedra. In the fifth O site, O(5) is bonded to one Li(1), one Cr(1), one Co(2), and one Co(3) atom to form a mixture of distorted corner and edge-sharing OLiCrCo2 trigonal pyramids. In the sixth O site, O(6) is bonded in a distorted rectangular see-saw-like geometry to one Li(2), one Cr(1), one Co(5), and one Co(6) atom. In the seventh O site, O(7) is bonded to one Li(1), one Cr(1), one Co(1), and one Co(2) atom to form a mixture of distorted corner and edge-sharing OLiCrCo2 trigonal pyramids. In the eighth O site, O(8) is bonded in a rectangular see-saw-like geometry to one Li(2), one Cr(1), one Co(4), and one Co(5) atom.
Li2CrCo3O8 is Spinel-derived structured and crystallizes in the triclinic P-1 space group. There are two inequivalent Li sites. In the first Li site, Li(1) is bonded to one O(2), one O(3), one O(5), and one O(7) atom to form LiO4 tetrahedra that share  a cornercorner with one Co(4)O6 octahedra,  a cornercorner with one Co(5)O6 octahedra,  a cornercorner with one Co(6)O6 octahedra, corners with two equivalent Co(1)O6 octahedra, corners with two equivalent Co(2)O6 octahedra, corners with two equivalent Co(3)O6 octahedra, and corners with three equivalent Cr(1)O6 octahedra. The corner-sharing octahedral tilt angles range from 57-62°. The Li(1)-O(2) bond length is 2.04 Å. The Li(1)-O(3) bond length is 1.95 Å. The Li(1)-O(5) bond length is 1.95 Å. The Li(1)-O(7) bond length is 2.03 Å. In the second Li site, Li(2) is bonded to one O(1), one O(4), one O(6), and one O(8) atom to form LiO4 tetrahedra that share  a cornercorner with one Co(1)O6 octahedra,  a cornercorner with one Co(2)O6 octahedra,  a cornercorner with one Co(3)O6 octahedra, corners with two equivalent Co(4)O6 octahedra, corners with two equivalent Co(5)O6 octahedra, corners with two equivalent Co(6)O6 octahedra, and corners with three equivalent Cr(1)O6 octahedra. The corner-sharing octahedral tilt angles range from 54-62°. The Li(2)-O(1) bond length is 2.00 Å. The Li(2)-O(4) bond length is 1.93 Å. The Li(2)-O(6) bond length is 1.98 Å. The Li(2)-O(8) bond length is 2.00 Å. Cr(1) is bonded to one O(3), one O(4), one O(5), one O(6), one O(7), and one O(8) atom to form CrO6 octahedra that share corners with three equivalent Li(1)O4 tetrahedra, corners with three equivalent Li(2)O4 tetrahedra,  an edgeedge with one Co(1)O6 octahedra,  an edgeedge with one Co(2)O6 octahedra,  an edgeedge with one Co(3)O6 octahedra,  an edgeedge with one Co(4)O6 octahedra,  an edgeedge with one Co(5)O6 octahedra, and  an edgeedge with one Co(6)O6 octahedra. The Cr(1)-O(3) bond length is 2.00 Å. The Cr(1)-O(4) bond length is 2.01 Å. The Cr(1)-O(5) bond length is 2.00 Å. The Cr(1)-O(6) bond length is 2.01 Å. The Cr(1)-O(7) bond length is 2.01 Å. The Cr(1)-O(8) bond length is 2.00 Å. There are six inequivalent Co sites. In the first Co site, Co(1) is bonded to two equivalent O(1), two equivalent O(3), and two equivalent O(7) atoms to form CoO6 octahedra that share corners with two equivalent Li(2)O4 tetrahedra, corners with four equivalent Li(1)O4 tetrahedra, edges with two equivalent Cr(1)O6 octahedra, edges with two equivalent Co(2)O6 octahedra, and edges with two equivalent Co(3)O6 octahedra. Both Co(1)-O(1) bond lengths are 2.04 Å. Both Co(1)-O(3) bond lengths are 1.87 Å. Both Co(1)-O(7) bond lengths are 1.94 Å. In the second Co site, Co(2) is bonded to two equivalent O(1), two equivalent O(5), and two equivalent O(7) atoms to form CoO6 octahedra that share corners with two equivalent Li(2)O4 tetrahedra, corners with four equivalent Li(1)O4 tetrahedra, edges with two equivalent Cr(1)O6 octahedra, edges with two equivalent Co(1)O6 octahedra, and edges with two equivalent Co(3)O6 octahedra. Both Co(2)-O(1) bond lengths are 1.89 Å. Both Co(2)-O(5) bond lengths are 1.90 Å. Both Co(2)-O(7) bond lengths are 1.94 Å. In the third Co site, Co(3) is bonded to two equivalent O(1), two equivalent O(3), and two equivalent O(5) atoms to form CoO6 octahedra that share corners with two equivalent Li(2)O4 tetrahedra, corners with four equivalent Li(1)O4 tetrahedra, edges with two equivalent Cr(1)O6 octahedra, edges with two equivalent Co(1)O6 octahedra, and edges with two equivalent Co(2)O6 octahedra. Both Co(3)-O(1) bond lengths are 2.04 Å. Both Co(3)-O(3) bond lengths are 1.99 Å. Both Co(3)-O(5) bond lengths are 2.01 Å. In the fourth Co site, Co(4) is bonded to two equivalent O(2), two equivalent O(4), and two equivalent O(8) atoms to form CoO6 octahedra that share corners with two equivalent Li(1)O4 tetrahedra, corners with four equivalent Li(2)O4 tetrahedra, edges with two equivalent Cr(1)O6 octahedra, edges with two equivalent Co(5)O6 octahedra, and edges with two equivalent Co(6)O6 octahedra. Both Co(4)-O(2) bond lengths are 1.94 Å. Both Co(4)-O(4) bond lengths are 1.94 Å. Both Co(4)-O(8) bond lengths are 2.05 Å. In the fifth Co site, Co(5) is bonded to two equivalent O(2), two equivalent O(6), and two equivalent O(8) atoms to form CoO6 octahedra that share corners with two equivalent Li(1)O4 tetrahedra, corners with four equivalent Li(2)O4 tetrahedra, edges with two equivalent Cr(1)O6 octahedra, edges with two equivalent Co(4)O6 octahedra, and edges with two equivalent Co(6)O6 octahedra. Both Co(5)-O(2) bond lengths are 1.93 Å. Both Co(5)-O(6) bond lengths are 1.89 Å. Both Co(5)-O(8) bond lengths are 1.89 Å. In the sixth Co site, Co(6) is bonded to two equivalent O(2), two equivalent O(4), and two equivalent O(6) atoms to form CoO6 octahedra that share corners with two equivalent Li(1)O4 tetrahedra, corners with four equivalent Li(2)O4 tetrahedra, edges with two equivalent Cr(1)O6 octahedra, edges with two equivalent Co(4)O6 octahedra, and edges with two equivalent Co(5)O6 octahedra. Both Co(6)-O(2) bond lengths are 2.03 Å. Both Co(6)-O(4) bond lengths are 1.96 Å. Both Co(6)-O(6) bond lengths are 2.01 Å. There are eight inequivalent O sites. In the first O site, O(1) is bonded in a rectangular see-saw-like geometry to one Li(2), one Co(1), one Co(2), and one Co(3) atom. In the second O site, O(2) is bonded in a distorted rectangular see-saw-like geometry to one Li(1), one Co(4), one Co(5), and one Co(6) atom. In the third O site, O(3) is bonded in a distorted rectangular see-saw-like geometry to one Li(1), one Cr(1), one Co(1), and one Co(3) atom. In the fourth O site, O(4) is bonded to one Li(2), one Cr(1), one Co(4), and one Co(6) atom to form distorted corner-sharing OLiCrCo2 tetrahedra. In the fifth O site, O(5) is bonded to one Li(1), one Cr(1), one Co(2), and one Co(3) atom to form a mixture of distorted corner and edge-sharing OLiCrCo2 trigonal pyramids. In the sixth O site, O(6) is bonded in a distorted rectangular see-saw-like geometry to one Li(2), one Cr(1), one Co(5), and one Co(6) atom. In the seventh O site, O(7) is bonded to one Li(1), one Cr(1), one Co(1), and one Co(2) atom to form a mixture of distorted corner and edge-sharing OLiCrCo2 trigonal pyramids. In the eighth O site, O(8) is bonded in a rectangular see-saw-like geometry to one Li(2), one Cr(1), one Co(4), and one Co(5) atom.