Li7Co5O12 is Caswellsilverite-like structured and crystallizes in the triclinic P-1 space group. There are five inequivalent Li sites. In the first Li site, Li(1) is bonded to one O(1), one O(4), one O(5), one O(6), and two equivalent O(3) atoms to form LiO6 octahedra that share corners with three equivalent Li(5)O6 octahedra, corners with three equivalent Co(3)O6 octahedra,  an edgeedge with one Li(1)O6 octahedra,  an edgeedge with one Li(3)O6 octahedra,  an edgeedge with one Li(4)O6 octahedra,  an edgeedge with one Co(2)O6 octahedra, edges with two equivalent Co(3)O6 octahedra, edges with three equivalent Li(2)O6 octahedra, and edges with three equivalent Co(1)O6 octahedra. The corner-sharing octahedral tilt angles range from 4-10°. In the second Li site, Li(2) is bonded to one O(2), one O(3), one O(5), one O(6), and two equivalent O(4) atoms to form LiO6 octahedra that share corners with three equivalent Co(1)O6 octahedra, corners with three equivalent Co(2)O6 octahedra,  an edgeedge with one Li(2)O6 octahedra,  an edgeedge with one Li(3)O6 octahedra,  an edgeedge with one Li(4)O6 octahedra,  an edgeedge with one Li(5)O6 octahedra, edges with two equivalent Co(1)O6 octahedra, edges with three equivalent Li(1)O6 octahedra, and edges with three equivalent Co(3)O6 octahedra. The corner-sharing octahedral tilt angles range from 2-7°. In the third Li site, Li(3) is bonded to two equivalent O(1), two equivalent O(2), and two equivalent O(5) atoms to form LiO6 octahedra that share corners with six equivalent Co(3)O6 octahedra, edges with two equivalent Li(1)O6 octahedra, edges with two equivalent Li(2)O6 octahedra, edges with two equivalent Li(4)O6 octahedra, edges with two equivalent Li(5)O6 octahedra, edges with two equivalent Co(1)O6 octahedra, and edges with two equivalent Co(2)O6 octahedra. The corner-sharing octahedral tilt angles range from 6-10°. In the fourth Li site, Li(4) is bonded to two equivalent O(1), two equivalent O(2), and two equivalent O(6) atoms to form LiO6 octahedra that share corners with six equivalent Co(1)O6 octahedra, edges with two equivalent Li(1)O6 octahedra, edges with two equivalent Li(2)O6 octahedra, edges with two equivalent Li(3)O6 octahedra, edges with two equivalent Li(5)O6 octahedra, edges with two equivalent Co(2)O6 octahedra, and edges with two equivalent Co(3)O6 octahedra. The corner-sharing octahedral tilt angles range from 7-9°. In the fifth Li site, Li(5) is bonded to two equivalent O(1), two equivalent O(5), and two equivalent O(6) atoms to form LiO6 octahedra that share corners with six equivalent Li(1)O6 octahedra, edges with two equivalent Li(2)O6 octahedra, edges with two equivalent Li(3)O6 octahedra, edges with two equivalent Li(4)O6 octahedra, edges with two equivalent Co(1)O6 octahedra, edges with two equivalent Co(2)O6 octahedra, and edges with two equivalent Co(3)O6 octahedra. The corner-sharing octahedral tilt angles range from 9-10°. There are three inequivalent Co sites. In the first Co site, Co(1) is bonded to one O(1), one O(2), one O(3), one O(6), and two equivalent O(4) atoms to form CoO6 octahedra that share corners with three equivalent Li(2)O6 octahedra, corners with three equivalent Li(4)O6 octahedra,  an edgeedge with one Li(3)O6 octahedra,  an edgeedge with one Li(5)O6 octahedra,  an edgeedge with one Co(1)O6 octahedra,  an edgeedge with one Co(2)O6 octahedra, edges with two equivalent Li(2)O6 octahedra, edges with three equivalent Li(1)O6 octahedra, and edges with three equivalent Co(3)O6 octahedra. The corner-sharing octahedral tilt angles range from 2-9°. In the second Co site, Co(2) is bonded to two equivalent O(2), two equivalent O(5), and two equivalent O(6) atoms to form CoO6 octahedra that share corners with six equivalent Li(2)O6 octahedra, edges with two equivalent Li(1)O6 octahedra, edges with two equivalent Li(3)O6 octahedra, edges with two equivalent Li(4)O6 octahedra, edges with two equivalent Li(5)O6 octahedra, edges with two equivalent Co(1)O6 octahedra, and edges with two equivalent Co(3)O6 octahedra. The corner-sharing octahedral tilt angles range from 2-4°. In the third Co site, Co(3) is bonded to one O(1), one O(2), one O(4), one O(5), and two equivalent O(3) atoms to form CoO6 octahedra that share corners with three equivalent Li(1)O6 octahedra, corners with three equivalent Li(3)O6 octahedra,  an edgeedge with one Li(4)O6 octahedra,  an edgeedge with one Li(5)O6 octahedra,  an edgeedge with one Co(2)O6 octahedra,  an edgeedge with one Co(3)O6 octahedra, edges with two equivalent Li(1)O6 octahedra, edges with three equivalent Li(2)O6 octahedra, and edges with three equivalent Co(1)O6 octahedra. The corner-sharing octahedral tilt angles range from 4-10°. There are six inequivalent O sites. In the first O site, O(1) is bonded to one Li(1), one Li(3), one Li(4), one Li(5), one Co(1), and one Co(3) atom to form OLi4Co2 octahedra that share corners with three equivalent O(3)Li3Co3 octahedra, corners with three equivalent O(1)Li4Co2 octahedra,  an edgeedge with one O(3)Li3Co3 octahedra, edges with two equivalent O(4)Li3Co3 octahedra, edges with three equivalent O(2)Li3Co3 octahedra, edges with three equivalent O(5)Li4Co2 octahedra, and edges with three equivalent O(6)Li4Co2 octahedra. The corner-sharing octahedral tilt angles range from 0-6°. In the second O site, O(2) is bonded to one Li(2), one Li(3), one Li(4), one Co(1), one Co(2), and one Co(3) atom to form OLi3Co3 octahedra that share corners with three equivalent O(2)Li3Co3 octahedra, corners with three equivalent O(4)Li3Co3 octahedra,  an edgeedge with one O(4)Li3Co3 octahedra, edges with two equivalent O(3)Li3Co3 octahedra, edges with three equivalent O(1)Li4Co2 octahedra, edges with three equivalent O(5)Li4Co2 octahedra, and edges with three equivalent O(6)Li4Co2 octahedra. The corner-sharing octahedral tilt angles range from 0-2°. In the third O site, O(3) is bonded to one Li(2), two equivalent Li(1), one Co(1), and two equivalent Co(3) atoms to form OLi3Co3 octahedra that share corners with three equivalent O(1)Li4Co2 octahedra, corners with three equivalent O(5)Li4Co2 octahedra,  an edgeedge with one O(1)Li4Co2 octahedra,  an edgeedge with one O(5)Li4Co2 octahedra, edges with two equivalent O(2)Li3Co3 octahedra, edges with two equivalent O(3)Li3Co3 octahedra, edges with two equivalent O(6)Li4Co2 octahedra, and edges with four equivalent O(4)Li3Co3 octahedra. The corner-sharing octahedral tilt angles range from 2-6°. In the fourth O site, O(4) is bonded to one Li(1), two equivalent Li(2), one Co(3), and two equivalent Co(1) atoms to form OLi3Co3 octahedra that share corners with three equivalent O(2)Li3Co3 octahedra, corners with three equivalent O(6)Li4Co2 octahedra,  an edgeedge with one O(2)Li3Co3 octahedra,  an edgeedge with one O(6)Li4Co2 octahedra, edges with two equivalent O(4)Li3Co3 octahedra, edges with two equivalent O(1)Li4Co2 octahedra, edges with two equivalent O(5)Li4Co2 octahedra, and edges with four equivalent O(3)Li3Co3 octahedra. The corner-sharing octahedral tilt angles range from 1-5°. In the fifth O site, O(5) is bonded to one Li(1), one Li(2), one Li(3), one Li(5), one Co(2), and one Co(3) atom to form OLi4Co2 octahedra that share corners with three equivalent O(3)Li3Co3 octahedra, corners with three equivalent O(5)Li4Co2 octahedra,  an edgeedge with one O(3)Li3Co3 octahedra, edges with two equivalent O(4)Li3Co3 octahedra, edges with three equivalent O(2)Li3Co3 octahedra, edges with three equivalent O(1)Li4Co2 octahedra, and edges with three equivalent O(6)Li4Co2 octahedra. The corner-sharing octahedral tilt angles range from 0-6°. In the sixth O site, O(6) is bonded to one Li(1), one Li(2), one Li(4), one Li(5), one Co(1), and one Co(2) atom to form OLi4Co2 octahedra that share corners with three equivalent O(4)Li3Co3 octahedra, corners with three equivalent O(6)Li4Co2 octahedra,  an edgeedge with one O(4)Li3Co3 octahedra, edges with two equivalent O(3)Li3Co3 octahedra, edges with three equivalent O(2)Li3Co3 octahedra, edges with three equivalent O(1)Li4Co2 octahedra, and edges with three equivalent O(5)Li4Co2 octahedra. The corner-sharing octahedral tilt angles range from 0-5°.
Li7Co5O12 is Caswellsilverite-like structured and crystallizes in the triclinic P-1 space group. There are five inequivalent Li sites. In the first Li site, Li(1) is bonded to one O(1), one O(4), one O(5), one O(6), and two equivalent O(3) atoms to form LiO6 octahedra that share corners with three equivalent Li(5)O6 octahedra, corners with three equivalent Co(3)O6 octahedra,  an edgeedge with one Li(1)O6 octahedra,  an edgeedge with one Li(3)O6 octahedra,  an edgeedge with one Li(4)O6 octahedra,  an edgeedge with one Co(2)O6 octahedra, edges with two equivalent Co(3)O6 octahedra, edges with three equivalent Li(2)O6 octahedra, and edges with three equivalent Co(1)O6 octahedra. The corner-sharing octahedral tilt angles range from 4-10°. The Li(1)-O(1) bond length is 2.06 Å. The Li(1)-O(4) bond length is 2.11 Å. The Li(1)-O(5) bond length is 2.06 Å. The Li(1)-O(6) bond length is 2.06 Å. There is one shorter (2.14 Å) and one longer (2.17 Å) Li(1)-O(3) bond length. In the second Li site, Li(2) is bonded to one O(2), one O(3), one O(5), one O(6), and two equivalent O(4) atoms to form LiO6 octahedra that share corners with three equivalent Co(1)O6 octahedra, corners with three equivalent Co(2)O6 octahedra,  an edgeedge with one Li(2)O6 octahedra,  an edgeedge with one Li(3)O6 octahedra,  an edgeedge with one Li(4)O6 octahedra,  an edgeedge with one Li(5)O6 octahedra, edges with two equivalent Co(1)O6 octahedra, edges with three equivalent Li(1)O6 octahedra, and edges with three equivalent Co(3)O6 octahedra. The corner-sharing octahedral tilt angles range from 2-7°. The Li(2)-O(2) bond length is 2.25 Å. The Li(2)-O(3) bond length is 2.17 Å. The Li(2)-O(5) bond length is 2.22 Å. The Li(2)-O(6) bond length is 2.20 Å. Both Li(2)-O(4) bond lengths are 2.11 Å. In the third Li site, Li(3) is bonded to two equivalent O(1), two equivalent O(2), and two equivalent O(5) atoms to form LiO6 octahedra that share corners with six equivalent Co(3)O6 octahedra, edges with two equivalent Li(1)O6 octahedra, edges with two equivalent Li(2)O6 octahedra, edges with two equivalent Li(4)O6 octahedra, edges with two equivalent Li(5)O6 octahedra, edges with two equivalent Co(1)O6 octahedra, and edges with two equivalent Co(2)O6 octahedra. The corner-sharing octahedral tilt angles range from 6-10°. Both Li(3)-O(1) bond lengths are 2.17 Å. Both Li(3)-O(2) bond lengths are 2.08 Å. Both Li(3)-O(5) bond lengths are 2.16 Å. In the fourth Li site, Li(4) is bonded to two equivalent O(1), two equivalent O(2), and two equivalent O(6) atoms to form LiO6 octahedra that share corners with six equivalent Co(1)O6 octahedra, edges with two equivalent Li(1)O6 octahedra, edges with two equivalent Li(2)O6 octahedra, edges with two equivalent Li(3)O6 octahedra, edges with two equivalent Li(5)O6 octahedra, edges with two equivalent Co(2)O6 octahedra, and edges with two equivalent Co(3)O6 octahedra. The corner-sharing octahedral tilt angles range from 7-9°. Both Li(4)-O(1) bond lengths are 2.16 Å. Both Li(4)-O(2) bond lengths are 2.07 Å. Both Li(4)-O(6) bond lengths are 2.17 Å. In the fifth Li site, Li(5) is bonded to two equivalent O(1), two equivalent O(5), and two equivalent O(6) atoms to form LiO6 octahedra that share corners with six equivalent Li(1)O6 octahedra, edges with two equivalent Li(2)O6 octahedra, edges with two equivalent Li(3)O6 octahedra, edges with two equivalent Li(4)O6 octahedra, edges with two equivalent Co(1)O6 octahedra, edges with two equivalent Co(2)O6 octahedra, and edges with two equivalent Co(3)O6 octahedra. The corner-sharing octahedral tilt angles range from 9-10°. Both Li(5)-O(1) bond lengths are 2.11 Å. Both Li(5)-O(5) bond lengths are 2.06 Å. Both Li(5)-O(6) bond lengths are 2.07 Å. There are three inequivalent Co sites. In the first Co site, Co(1) is bonded to one O(1), one O(2), one O(3), one O(6), and two equivalent O(4) atoms to form CoO6 octahedra that share corners with three equivalent Li(2)O6 octahedra, corners with three equivalent Li(4)O6 octahedra,  an edgeedge with one Li(3)O6 octahedra,  an edgeedge with one Li(5)O6 octahedra,  an edgeedge with one Co(1)O6 octahedra,  an edgeedge with one Co(2)O6 octahedra, edges with two equivalent Li(2)O6 octahedra, edges with three equivalent Li(1)O6 octahedra, and edges with three equivalent Co(3)O6 octahedra. The corner-sharing octahedral tilt angles range from 2-9°. The Co(1)-O(1) bond length is 1.94 Å. The Co(1)-O(2) bond length is 2.04 Å. The Co(1)-O(3) bond length is 2.02 Å. The Co(1)-O(6) bond length is 1.98 Å. There is one shorter (2.03 Å) and one longer (2.07 Å) Co(1)-O(4) bond length. In the second Co site, Co(2) is bonded to two equivalent O(2), two equivalent O(5), and two equivalent O(6) atoms to form CoO6 octahedra that share corners with six equivalent Li(2)O6 octahedra, edges with two equivalent Li(1)O6 octahedra, edges with two equivalent Li(3)O6 octahedra, edges with two equivalent Li(4)O6 octahedra, edges with two equivalent Li(5)O6 octahedra, edges with two equivalent Co(1)O6 octahedra, and edges with two equivalent Co(3)O6 octahedra. The corner-sharing octahedral tilt angles range from 2-4°. Both Co(2)-O(2) bond lengths are 1.93 Å. Both Co(2)-O(5) bond lengths are 1.88 Å. Both Co(2)-O(6) bond lengths are 1.88 Å. In the third Co site, Co(3) is bonded to one O(1), one O(2), one O(4), one O(5), and two equivalent O(3) atoms to form CoO6 octahedra that share corners with three equivalent Li(1)O6 octahedra, corners with three equivalent Li(3)O6 octahedra,  an edgeedge with one Li(4)O6 octahedra,  an edgeedge with one Li(5)O6 octahedra,  an edgeedge with one Co(2)O6 octahedra,  an edgeedge with one Co(3)O6 octahedra, edges with two equivalent Li(1)O6 octahedra, edges with three equivalent Li(2)O6 octahedra, and edges with three equivalent Co(1)O6 octahedra. The corner-sharing octahedral tilt angles range from 4-10°. The Co(3)-O(1) bond length is 1.90 Å. The Co(3)-O(2) bond length is 2.05 Å. The Co(3)-O(4) bond length is 2.03 Å. The Co(3)-O(5) bond length is 1.97 Å. There is one shorter (2.00 Å) and one longer (2.09 Å) Co(3)-O(3) bond length. There are six inequivalent O sites. In the first O site, O(1) is bonded to one Li(1), one Li(3), one Li(4), one Li(5), one Co(1), and one Co(3) atom to form OLi4Co2 octahedra that share corners with three equivalent O(3)Li3Co3 octahedra, corners with three equivalent O(1)Li4Co2 octahedra,  an edgeedge with one O(3)Li3Co3 octahedra, edges with two equivalent O(4)Li3Co3 octahedra, edges with three equivalent O(2)Li3Co3 octahedra, edges with three equivalent O(5)Li4Co2 octahedra, and edges with three equivalent O(6)Li4Co2 octahedra. The corner-sharing octahedral tilt angles range from 0-6°. In the second O site, O(2) is bonded to one Li(2), one Li(3), one Li(4), one Co(1), one Co(2), and one Co(3) atom to form OLi3Co3 octahedra that share corners with three equivalent O(2)Li3Co3 octahedra, corners with three equivalent O(4)Li3Co3 octahedra,  an edgeedge with one O(4)Li3Co3 octahedra, edges with two equivalent O(3)Li3Co3 octahedra, edges with three equivalent O(1)Li4Co2 octahedra, edges with three equivalent O(5)Li4Co2 octahedra, and edges with three equivalent O(6)Li4Co2 octahedra. The corner-sharing octahedral tilt angles range from 0-2°. In the third O site, O(3) is bonded to one Li(2), two equivalent Li(1), one Co(1), and two equivalent Co(3) atoms to form OLi3Co3 octahedra that share corners with three equivalent O(1)Li4Co2 octahedra, corners with three equivalent O(5)Li4Co2 octahedra,  an edgeedge with one O(1)Li4Co2 octahedra,  an edgeedge with one O(5)Li4Co2 octahedra, edges with two equivalent O(2)Li3Co3 octahedra, edges with two equivalent O(3)Li3Co3 octahedra, edges with two equivalent O(6)Li4Co2 octahedra, and edges with four equivalent O(4)Li3Co3 octahedra. The corner-sharing octahedral tilt angles range from 2-6°. In the fourth O site, O(4) is bonded to one Li(1), two equivalent Li(2), one Co(3), and two equivalent Co(1) atoms to form OLi3Co3 octahedra that share corners with three equivalent O(2)Li3Co3 octahedra, corners with three equivalent O(6)Li4Co2 octahedra,  an edgeedge with one O(2)Li3Co3 octahedra,  an edgeedge with one O(6)Li4Co2 octahedra, edges with two equivalent O(4)Li3Co3 octahedra, edges with two equivalent O(1)Li4Co2 octahedra, edges with two equivalent O(5)Li4Co2 octahedra, and edges with four equivalent O(3)Li3Co3 octahedra. The corner-sharing octahedral tilt angles range from 1-5°. In the fifth O site, O(5) is bonded to one Li(1), one Li(2), one Li(3), one Li(5), one Co(2), and one Co(3) atom to form OLi4Co2 octahedra that share corners with three equivalent O(3)Li3Co3 octahedra, corners with three equivalent O(5)Li4Co2 octahedra,  an edgeedge with one O(3)Li3Co3 octahedra, edges with two equivalent O(4)Li3Co3 octahedra, edges with three equivalent O(2)Li3Co3 octahedra, edges with three equivalent O(1)Li4Co2 octahedra, and edges with three equivalent O(6)Li4Co2 octahedra. The corner-sharing octahedral tilt angles range from 0-6°. In the sixth O site, O(6) is bonded to one Li(1), one Li(2), one Li(4), one Li(5), one Co(1), and one Co(2) atom to form OLi4Co2 octahedra that share corners with three equivalent O(4)Li3Co3 octahedra, corners with three equivalent O(6)Li4Co2 octahedra,  an edgeedge with one O(4)Li3Co3 octahedra, edges with two equivalent O(3)Li3Co3 octahedra, edges with three equivalent O(2)Li3Co3 octahedra, edges with three equivalent O(1)Li4Co2 octahedra, and edges with three equivalent O(5)Li4Co2 octahedra. The corner-sharing octahedral tilt angles range from 0-5°.