Li9Co7O16 is Caswellsilverite-like structured and crystallizes in the monoclinic P2/m space group. There are six inequivalent Li sites. In the first Li site, Li(1) is bonded to one O(1), one O(3), two equivalent O(4), and two equivalent O(6) atoms to form LiO6 octahedra that share corners with two equivalent Li(6)O6 octahedra, corners with two equivalent Co(3)O6 octahedra, corners with two equivalent Co(4)O6 octahedra,  an edgeedge with one Li(6)O6 octahedra,  an edgeedge with one Co(4)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 Co(1)O6 octahedra, and edges with two equivalent Co(2)O6 octahedra. The corner-sharing octahedral tilt angles range from 5-11°. In the second Li site, Li(2) is bonded to two equivalent O(2) and four equivalent O(5) atoms to form LiO6 octahedra that share corners with two equivalent Co(4)O6 octahedra, corners with four equivalent Co(3)O6 octahedra, edges with two equivalent Li(2)O6 octahedra, edges with two equivalent Co(3)O6 octahedra, edges with four equivalent Li(4)O6 octahedra, and edges with four equivalent Co(2)O6 octahedra. The corner-sharing octahedral tilt angles are 3°. In the third Li site, Li(3) is bonded to one O(4), one O(8), two equivalent O(3), and two equivalent O(7) atoms to form LiO6 octahedra that share corners with two equivalent Co(2)O6 octahedra, corners with four equivalent Co(1)O6 octahedra,  an edgeedge with one Co(1)O6 octahedra,  an edgeedge with one Co(2)O6 octahedra, edges with two equivalent Li(1)O6 octahedra, edges with two equivalent Li(3)O6 octahedra, edges with two equivalent Li(5)O6 octahedra, edges with two equivalent Li(6)O6 octahedra, and edges with two equivalent Co(3)O6 octahedra. The corner-sharing octahedral tilt angles range from 3-9°. In the fourth Li site, Li(4) is bonded to one O(5), one O(6), two equivalent O(1), and two equivalent O(2) atoms to form LiO6 octahedra that share corners with two equivalent Co(1)O6 octahedra, corners with four equivalent Co(2)O6 octahedra,  an edgeedge with one Co(1)O6 octahedra,  an edgeedge with one Co(2)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 Co(3)O6 octahedra, and edges with two equivalent Co(4)O6 octahedra. The corner-sharing octahedral tilt angles range from 3-8°. In the fifth Li site, Li(5) is bonded to two equivalent O(7) and four equivalent O(8) atoms to form LiO6 octahedra that share corners with two equivalent Li(6)O6 octahedra, corners with four equivalent Co(3)O6 octahedra, edges with two equivalent Li(5)O6 octahedra, edges with two equivalent Co(3)O6 octahedra, edges with four equivalent Li(3)O6 octahedra, and edges with four equivalent Co(1)O6 octahedra. The corner-sharing octahedral tilt angles range from 8-11°. In the sixth Li site, Li(6) is bonded to two equivalent O(7) and four equivalent O(4) atoms to form LiO6 octahedra that share corners with two equivalent Li(5)O6 octahedra, corners with four equivalent Li(1)O6 octahedra, edges with two equivalent Li(1)O6 octahedra, edges with two equivalent Li(6)O6 octahedra, edges with four equivalent Li(3)O6 octahedra, and edges with four equivalent Co(1)O6 octahedra. The corner-sharing octahedral tilt angles are 11°. There are four inequivalent Co sites. In the first Co site, Co(1) is bonded to one O(4), one O(8), two equivalent O(1), and two equivalent O(7) atoms to form CoO6 octahedra that share corners with two equivalent Li(4)O6 octahedra, corners with four equivalent Li(3)O6 octahedra,  an edgeedge with one Li(3)O6 octahedra,  an edgeedge with one Li(4)O6 octahedra, edges with two equivalent Li(1)O6 octahedra, edges with two equivalent Li(5)O6 octahedra, edges with two equivalent Li(6)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 3-9°. In the second Co site, Co(2) is bonded to one O(5), one O(6), two equivalent O(2), and two equivalent O(3) atoms to form CoO6 octahedra that share corners with two equivalent Li(3)O6 octahedra, corners with four equivalent Li(4)O6 octahedra,  an edgeedge with one Li(3)O6 octahedra,  an edgeedge with one Li(4)O6 octahedra, edges with two equivalent Li(1)O6 octahedra, edges with two equivalent Li(2)O6 octahedra, edges with two equivalent Co(2)O6 octahedra, edges with two equivalent Co(3)O6 octahedra, and edges with two equivalent Co(4)O6 octahedra. The corner-sharing octahedral tilt angles range from 3-7°. In the third Co site, Co(3) is bonded to one O(1), one O(3), two equivalent O(5), and two equivalent O(8) atoms to form CoO6 octahedra that share corners with two equivalent Li(1)O6 octahedra, corners with two equivalent Li(2)O6 octahedra, corners with two equivalent Li(5)O6 octahedra,  an edgeedge with one Li(2)O6 octahedra,  an edgeedge with one Li(5)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 3-8°. In the fourth Co site, Co(4) is bonded to two equivalent O(2) and four equivalent O(6) atoms to form CoO6 octahedra that share corners with two equivalent Li(2)O6 octahedra, corners with four equivalent Li(1)O6 octahedra, edges with two equivalent Li(1)O6 octahedra, edges with two equivalent Co(4)O6 octahedra, edges with four equivalent Li(4)O6 octahedra, and edges with four equivalent Co(2)O6 octahedra. The corner-sharing octahedral tilt angles range from 3-7°. There are eight inequivalent O sites. In the first O site, O(1) is bonded to one Li(1), two equivalent Li(4), one Co(3), and two equivalent Co(1) atoms to form OLi3Co3 octahedra that share corners with two equivalent O(2)Li3Co3 octahedra, corners with two equivalent O(3)Li3Co3 octahedra, corners with two equivalent O(7)Li4Co2 octahedra,  an edgeedge with one O(2)Li3Co3 octahedra,  an edgeedge with one O(7)Li4Co2 octahedra, edges with two equivalent O(1)Li3Co3 octahedra, edges with two equivalent O(5)Li3Co3 octahedra, edges with two equivalent O(6)Li3Co3 octahedra, edges with two equivalent O(8)Li3Co3 octahedra, and edges with two equivalent O(4)Li5Co octahedra. The corner-sharing octahedral tilt angles range from 1-6°. In the second O site, O(2) is bonded to one Li(2), two equivalent Li(4), one Co(4), and two equivalent Co(2) atoms to form a mixture of corner and edge-sharing OLi3Co3 octahedra. The corner-sharing octahedral tilt angles range from 0-3°. In the third O site, O(3) is bonded to one Li(1), two equivalent Li(3), one Co(3), and two equivalent Co(2) atoms to form OLi3Co3 octahedra that share corners with two equivalent O(1)Li3Co3 octahedra, corners with two equivalent O(2)Li3Co3 octahedra, corners with two equivalent O(7)Li4Co2 octahedra,  an edgeedge with one O(2)Li3Co3 octahedra,  an edgeedge with one O(7)Li4Co2 octahedra, edges with two equivalent O(3)Li3Co3 octahedra, edges with two equivalent O(5)Li3Co3 octahedra, edges with two equivalent O(6)Li3Co3 octahedra, edges with two equivalent O(8)Li3Co3 octahedra, and edges with two equivalent O(4)Li5Co octahedra. The corner-sharing octahedral tilt angles range from 0-8°. In the fourth O site, O(4) is bonded to one Li(3), two equivalent Li(1), two equivalent Li(6), and one Co(1) atom to form OLi5Co octahedra that share corners with two equivalent O(6)Li3Co3 octahedra, corners with two equivalent O(8)Li3Co3 octahedra, corners with two equivalent O(4)Li5Co octahedra,  an edgeedge with one O(6)Li3Co3 octahedra, edges with two equivalent O(1)Li3Co3 octahedra, edges with two equivalent O(3)Li3Co3 octahedra, edges with three equivalent O(4)Li5Co octahedra, and edges with four equivalent O(7)Li4Co2 octahedra. The corner-sharing octahedral tilt angles range from 0-6°. In the fifth O site, O(5) is bonded to one Li(4), two equivalent Li(2), one Co(2), and two equivalent Co(3) atoms to form a mixture of corner and edge-sharing OLi3Co3 octahedra. The corner-sharing octahedral tilt angles range from 0-3°. In the sixth O site, O(6) is bonded to one Li(4), two equivalent Li(1), one Co(2), and two equivalent Co(4) atoms to form OLi3Co3 octahedra that share corners with two equivalent O(5)Li3Co3 octahedra, corners with two equivalent O(6)Li3Co3 octahedra, corners with two equivalent O(4)Li5Co octahedra,  an edgeedge with one O(4)Li5Co octahedra, edges with two equivalent O(1)Li3Co3 octahedra, edges with two equivalent O(3)Li3Co3 octahedra, edges with three equivalent O(6)Li3Co3 octahedra, and edges with four equivalent O(2)Li3Co3 octahedra. The corner-sharing octahedral tilt angles range from 0-6°. In the seventh O site, O(7) is bonded to one Li(5), one Li(6), two equivalent Li(3), and two equivalent Co(1) atoms to form OLi4Co2 octahedra that share corners with two equivalent O(1)Li3Co3 octahedra, corners with two equivalent O(3)Li3Co3 octahedra, corners with two equivalent O(7)Li4Co2 octahedra,  an edgeedge with one O(1)Li3Co3 octahedra,  an edgeedge with one O(3)Li3Co3 octahedra, edges with two equivalent O(7)Li4Co2 octahedra, edges with four equivalent O(8)Li3Co3 octahedra, and edges with four equivalent O(4)Li5Co octahedra. The corner-sharing octahedral tilt angles range from 0-8°. In the eighth O site, O(8) is bonded to one Li(3), two equivalent Li(5), one Co(1), and two equivalent Co(3) atoms to form OLi3Co3 octahedra that share corners with two equivalent O(5)Li3Co3 octahedra, corners with two equivalent O(8)Li3Co3 octahedra, corners with two equivalent O(4)Li5Co octahedra,  an edgeedge with one O(5)Li3Co3 octahedra, edges with two equivalent O(1)Li3Co3 octahedra, edges with two equivalent O(3)Li3Co3 octahedra, edges with three equivalent O(8)Li3Co3 octahedra, and edges with four equivalent O(7)Li4Co2 octahedra. The corner-sharing octahedral tilt angles range from 0-5°.
Li9Co7O16 is Caswellsilverite-like structured and crystallizes in the monoclinic P2/m space group. There are six inequivalent Li sites. In the first Li site, Li(1) is bonded to one O(1), one O(3), two equivalent O(4), and two equivalent O(6) atoms to form LiO6 octahedra that share corners with two equivalent Li(6)O6 octahedra, corners with two equivalent Co(3)O6 octahedra, corners with two equivalent Co(4)O6 octahedra,  an edgeedge with one Li(6)O6 octahedra,  an edgeedge with one Co(4)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 Co(1)O6 octahedra, and edges with two equivalent Co(2)O6 octahedra. The corner-sharing octahedral tilt angles range from 5-11°. The Li(1)-O(1) bond length is 2.09 Å. The Li(1)-O(3) bond length is 2.14 Å. Both Li(1)-O(4) bond lengths are 2.01 Å. Both Li(1)-O(6) bond lengths are 2.20 Å. In the second Li site, Li(2) is bonded to two equivalent O(2) and four equivalent O(5) atoms to form LiO6 octahedra that share corners with two equivalent Co(4)O6 octahedra, corners with four equivalent Co(3)O6 octahedra, edges with two equivalent Li(2)O6 octahedra, edges with two equivalent Co(3)O6 octahedra, edges with four equivalent Li(4)O6 octahedra, and edges with four equivalent Co(2)O6 octahedra. The corner-sharing octahedral tilt angles are 3°. Both Li(2)-O(2) bond lengths are 2.08 Å. All Li(2)-O(5) bond lengths are 2.14 Å. In the third Li site, Li(3) is bonded to one O(4), one O(8), two equivalent O(3), and two equivalent O(7) atoms to form LiO6 octahedra that share corners with two equivalent Co(2)O6 octahedra, corners with four equivalent Co(1)O6 octahedra,  an edgeedge with one Co(1)O6 octahedra,  an edgeedge with one Co(2)O6 octahedra, edges with two equivalent Li(1)O6 octahedra, edges with two equivalent Li(3)O6 octahedra, edges with two equivalent Li(5)O6 octahedra, edges with two equivalent Li(6)O6 octahedra, and edges with two equivalent Co(3)O6 octahedra. The corner-sharing octahedral tilt angles range from 3-9°. The Li(3)-O(4) bond length is 2.13 Å. The Li(3)-O(8) bond length is 2.28 Å. Both Li(3)-O(3) bond lengths are 2.13 Å. Both Li(3)-O(7) bond lengths are 2.20 Å. In the fourth Li site, Li(4) is bonded to one O(5), one O(6), two equivalent O(1), and two equivalent O(2) atoms to form LiO6 octahedra that share corners with two equivalent Co(1)O6 octahedra, corners with four equivalent Co(2)O6 octahedra,  an edgeedge with one Co(1)O6 octahedra,  an edgeedge with one Co(2)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 Co(3)O6 octahedra, and edges with two equivalent Co(4)O6 octahedra. The corner-sharing octahedral tilt angles range from 3-8°. The Li(4)-O(5) bond length is 2.10 Å. The Li(4)-O(6) bond length is 2.11 Å. Both Li(4)-O(1) bond lengths are 2.22 Å. Both Li(4)-O(2) bond lengths are 2.10 Å. In the fifth Li site, Li(5) is bonded to two equivalent O(7) and four equivalent O(8) atoms to form LiO6 octahedra that share corners with two equivalent Li(6)O6 octahedra, corners with four equivalent Co(3)O6 octahedra, edges with two equivalent Li(5)O6 octahedra, edges with two equivalent Co(3)O6 octahedra, edges with four equivalent Li(3)O6 octahedra, and edges with four equivalent Co(1)O6 octahedra. The corner-sharing octahedral tilt angles range from 8-11°. Both Li(5)-O(7) bond lengths are 2.05 Å. All Li(5)-O(8) bond lengths are 2.13 Å. In the sixth Li site, Li(6) is bonded to two equivalent O(7) and four equivalent O(4) atoms to form LiO6 octahedra that share corners with two equivalent Li(5)O6 octahedra, corners with four equivalent Li(1)O6 octahedra, edges with two equivalent Li(1)O6 octahedra, edges with two equivalent Li(6)O6 octahedra, edges with four equivalent Li(3)O6 octahedra, and edges with four equivalent Co(1)O6 octahedra. The corner-sharing octahedral tilt angles are 11°. Both Li(6)-O(7) bond lengths are 2.05 Å. All Li(6)-O(4) bond lengths are 2.10 Å. There are four inequivalent Co sites. In the first Co site, Co(1) is bonded to one O(4), one O(8), two equivalent O(1), and two equivalent O(7) atoms to form CoO6 octahedra that share corners with two equivalent Li(4)O6 octahedra, corners with four equivalent Li(3)O6 octahedra,  an edgeedge with one Li(3)O6 octahedra,  an edgeedge with one Li(4)O6 octahedra, edges with two equivalent Li(1)O6 octahedra, edges with two equivalent Li(5)O6 octahedra, edges with two equivalent Li(6)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 3-9°. The Co(1)-O(4) bond length is 1.79 Å. The Co(1)-O(8) bond length is 1.98 Å. Both Co(1)-O(1) bond lengths are 1.98 Å. Both Co(1)-O(7) bond lengths are 1.92 Å. In the second Co site, Co(2) is bonded to one O(5), one O(6), two equivalent O(2), and two equivalent O(3) atoms to form CoO6 octahedra that share corners with two equivalent Li(3)O6 octahedra, corners with four equivalent Li(4)O6 octahedra,  an edgeedge with one Li(3)O6 octahedra,  an edgeedge with one Li(4)O6 octahedra, edges with two equivalent Li(1)O6 octahedra, edges with two equivalent Li(2)O6 octahedra, edges with two equivalent Co(2)O6 octahedra, edges with two equivalent Co(3)O6 octahedra, and edges with two equivalent Co(4)O6 octahedra. The corner-sharing octahedral tilt angles range from 3-7°. The Co(2)-O(5) bond length is 1.98 Å. The Co(2)-O(6) bond length is 1.99 Å. Both Co(2)-O(2) bond lengths are 2.05 Å. Both Co(2)-O(3) bond lengths are 2.06 Å. In the third Co site, Co(3) is bonded to one O(1), one O(3), two equivalent O(5), and two equivalent O(8) atoms to form CoO6 octahedra that share corners with two equivalent Li(1)O6 octahedra, corners with two equivalent Li(2)O6 octahedra, corners with two equivalent Li(5)O6 octahedra,  an edgeedge with one Li(2)O6 octahedra,  an edgeedge with one Li(5)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 3-8°. The Co(3)-O(1) bond length is 2.00 Å. The Co(3)-O(3) bond length is 1.96 Å. Both Co(3)-O(5) bond lengths are 2.05 Å. Both Co(3)-O(8) bond lengths are 2.00 Å. In the fourth Co site, Co(4) is bonded to two equivalent O(2) and four equivalent O(6) atoms to form CoO6 octahedra that share corners with two equivalent Li(2)O6 octahedra, corners with four equivalent Li(1)O6 octahedra, edges with two equivalent Li(1)O6 octahedra, edges with two equivalent Co(4)O6 octahedra, edges with four equivalent Li(4)O6 octahedra, and edges with four equivalent Co(2)O6 octahedra. The corner-sharing octahedral tilt angles range from 3-7°. Both Co(4)-O(2) bond lengths are 2.00 Å. All Co(4)-O(6) bond lengths are 2.02 Å. There are eight inequivalent O sites. In the first O site, O(1) is bonded to one Li(1), two equivalent Li(4), one Co(3), and two equivalent Co(1) atoms to form OLi3Co3 octahedra that share corners with two equivalent O(2)Li3Co3 octahedra, corners with two equivalent O(3)Li3Co3 octahedra, corners with two equivalent O(7)Li4Co2 octahedra,  an edgeedge with one O(2)Li3Co3 octahedra,  an edgeedge with one O(7)Li4Co2 octahedra, edges with two equivalent O(1)Li3Co3 octahedra, edges with two equivalent O(5)Li3Co3 octahedra, edges with two equivalent O(6)Li3Co3 octahedra, edges with two equivalent O(8)Li3Co3 octahedra, and edges with two equivalent O(4)Li5Co octahedra. The corner-sharing octahedral tilt angles range from 1-6°. In the second O site, O(2) is bonded to one Li(2), two equivalent Li(4), one Co(4), and two equivalent Co(2) atoms to form a mixture of corner and edge-sharing OLi3Co3 octahedra. The corner-sharing octahedral tilt angles range from 0-3°. In the third O site, O(3) is bonded to one Li(1), two equivalent Li(3), one Co(3), and two equivalent Co(2) atoms to form OLi3Co3 octahedra that share corners with two equivalent O(1)Li3Co3 octahedra, corners with two equivalent O(2)Li3Co3 octahedra, corners with two equivalent O(7)Li4Co2 octahedra,  an edgeedge with one O(2)Li3Co3 octahedra,  an edgeedge with one O(7)Li4Co2 octahedra, edges with two equivalent O(3)Li3Co3 octahedra, edges with two equivalent O(5)Li3Co3 octahedra, edges with two equivalent O(6)Li3Co3 octahedra, edges with two equivalent O(8)Li3Co3 octahedra, and edges with two equivalent O(4)Li5Co octahedra. The corner-sharing octahedral tilt angles range from 0-8°. In the fourth O site, O(4) is bonded to one Li(3), two equivalent Li(1), two equivalent Li(6), and one Co(1) atom to form OLi5Co octahedra that share corners with two equivalent O(6)Li3Co3 octahedra, corners with two equivalent O(8)Li3Co3 octahedra, corners with two equivalent O(4)Li5Co octahedra,  an edgeedge with one O(6)Li3Co3 octahedra, edges with two equivalent O(1)Li3Co3 octahedra, edges with two equivalent O(3)Li3Co3 octahedra, edges with three equivalent O(4)Li5Co octahedra, and edges with four equivalent O(7)Li4Co2 octahedra. The corner-sharing octahedral tilt angles range from 0-6°. In the fifth O site, O(5) is bonded to one Li(4), two equivalent Li(2), one Co(2), and two equivalent Co(3) atoms to form a mixture of corner and edge-sharing OLi3Co3 octahedra. The corner-sharing octahedral tilt angles range from 0-3°. In the sixth O site, O(6) is bonded to one Li(4), two equivalent Li(1), one Co(2), and two equivalent Co(4) atoms to form OLi3Co3 octahedra that share corners with two equivalent O(5)Li3Co3 octahedra, corners with two equivalent O(6)Li3Co3 octahedra, corners with two equivalent O(4)Li5Co octahedra,  an edgeedge with one O(4)Li5Co octahedra, edges with two equivalent O(1)Li3Co3 octahedra, edges with two equivalent O(3)Li3Co3 octahedra, edges with three equivalent O(6)Li3Co3 octahedra, and edges with four equivalent O(2)Li3Co3 octahedra. The corner-sharing octahedral tilt angles range from 0-6°. In the seventh O site, O(7) is bonded to one Li(5), one Li(6), two equivalent Li(3), and two equivalent Co(1) atoms to form OLi4Co2 octahedra that share corners with two equivalent O(1)Li3Co3 octahedra, corners with two equivalent O(3)Li3Co3 octahedra, corners with two equivalent O(7)Li4Co2 octahedra,  an edgeedge with one O(1)Li3Co3 octahedra,  an edgeedge with one O(3)Li3Co3 octahedra, edges with two equivalent O(7)Li4Co2 octahedra, edges with four equivalent O(8)Li3Co3 octahedra, and edges with four equivalent O(4)Li5Co octahedra. The corner-sharing octahedral tilt angles range from 0-8°. In the eighth O site, O(8) is bonded to one Li(3), two equivalent Li(5), one Co(1), and two equivalent Co(3) atoms to form OLi3Co3 octahedra that share corners with two equivalent O(5)Li3Co3 octahedra, corners with two equivalent O(8)Li3Co3 octahedra, corners with two equivalent O(4)Li5Co octahedra,  an edgeedge with one O(5)Li3Co3 octahedra, edges with two equivalent O(1)Li3Co3 octahedra, edges with two equivalent O(3)Li3Co3 octahedra, edges with three equivalent O(8)Li3Co3 octahedra, and edges with four equivalent O(7)Li4Co2 octahedra. The corner-sharing octahedral tilt angles range from 0-5°.