Li9Mn2Co5O16 crystallizes in the triclinic P-1 space group. There are five inequivalent Li sites. In the first Li site, Li(1) is bonded in a 8-coordinate geometry to one Co(1), one Co(2), one O(1), one O(3), one O(5), one O(6), and two equivalent O(2) atoms. In the second Li site, Li(2) is bonded in a 8-coordinate geometry to one Li(5), one Mn(1), one O(1), one O(3), one O(7), one O(8), and two equivalent O(4) atoms. In the third Li site, Li(3) is bonded in a 4-coordinate geometry to one Co(2), one Co(3), one O(3), one O(4), one O(5), one O(7), and one O(8) atom. In the fourth Li site, Li(4) is bonded in a 8-coordinate geometry to one Mn(1), one Co(1), one O(1), one O(2), one O(5), one O(7), and two equivalent O(6) atoms. In the fifth Li site, Li(5) is bonded in a distorted square co-planar geometry to two equivalent Li(2), two equivalent O(4), two equivalent O(7), and two equivalent O(8) atoms. Mn(1) is bonded in a 4-coordinate geometry to one Li(2), one Li(4), one O(2), one O(3), one O(4), one O(5), and one O(7) atom. There are three inequivalent Co sites. In the first Co site, Co(1) is bonded in a 8-coordinate geometry to one Li(1), one Li(4), one O(1), one O(5), two equivalent O(2), and two equivalent O(6) atoms. In the second Co site, Co(2) is bonded in a 8-coordinate geometry to one Li(1), one Li(3), one O(1), one O(3), one O(5), one O(6), one O(7), and one O(8) atom. In the third Co site, Co(3) is bonded in a 8-coordinate geometry to two equivalent Li(3), two equivalent O(3), two equivalent O(4), and two equivalent O(8) atoms. There are eight inequivalent O sites. In the first O site, O(1) is bonded in a 4-coordinate geometry to one Li(1), one Li(2), one Li(4), one Co(1), and one Co(2) atom. In the second O site, O(2) is bonded in a 4-coordinate geometry to one Li(4), two equivalent Li(1), one Mn(1), and two equivalent Co(1) atoms. In the third O site, O(3) is bonded in a 7-coordinate geometry to one Li(1), one Li(2), one Li(3), one Mn(1), one Co(2), one Co(3), and one O(8) atom. In the fourth O site, O(4) is bonded in a 6-coordinate geometry to one Li(3), one Li(5), two equivalent Li(2), one Mn(1), and one Co(3) atom. In the fifth O site, O(5) is bonded in a 4-coordinate geometry to one Li(1), one Li(3), one Li(4), one Mn(1), one Co(1), and one Co(2) atom. In the sixth O site, O(6) is bonded in a 4-coordinate geometry to one Li(1), two equivalent Li(4), one Co(2), and two equivalent Co(1) atoms. In the seventh O site, O(7) is bonded in a 5-coordinate geometry to one Li(2), one Li(3), one Li(4), one Li(5), one Mn(1), and one Co(2) atom. In the eighth O site, O(8) is bonded in a 4-coordinate geometry to one Li(2), one Li(3), one Li(5), one Co(2), one Co(3), and one O(3) atom.
Li9Mn2Co5O16 crystallizes in the triclinic P-1 space group. There are five inequivalent Li sites. In the first Li site, Li(1) is bonded in a 8-coordinate geometry to one Co(1), one Co(2), one O(1), one O(3), one O(5), one O(6), and two equivalent O(2) atoms. The Li(1)-Co(1) bond length is 2.21 Å. The Li(1)-Co(2) bond length is 2.18 Å. The Li(1)-O(1) bond length is 2.18 Å. The Li(1)-O(3) bond length is 2.02 Å. The Li(1)-O(5) bond length is 2.52 Å. The Li(1)-O(6) bond length is 2.47 Å. There is one shorter (1.98 Å) and one longer (2.18 Å) Li(1)-O(2) bond length. In the second Li site, Li(2) is bonded in a 8-coordinate geometry to one Li(5), one Mn(1), one O(1), one O(3), one O(7), one O(8), and two equivalent O(4) atoms. The Li(2)-Li(5) bond length is 2.17 Å. The Li(2)-Mn(1) bond length is 2.24 Å. The Li(2)-O(1) bond length is 2.10 Å. The Li(2)-O(3) bond length is 2.41 Å. The Li(2)-O(7) bond length is 2.56 Å. The Li(2)-O(8) bond length is 2.15 Å. There is one shorter (2.08 Å) and one longer (2.32 Å) Li(2)-O(4) bond length. In the third Li site, Li(3) is bonded in a 4-coordinate geometry to one Co(2), one Co(3), one O(3), one O(4), one O(5), one O(7), and one O(8) atom. The Li(3)-Co(2) bond length is 2.20 Å. The Li(3)-Co(3) bond length is 2.22 Å. The Li(3)-O(3) bond length is 2.57 Å. The Li(3)-O(4) bond length is 2.15 Å. The Li(3)-O(5) bond length is 2.09 Å. The Li(3)-O(7) bond length is 2.22 Å. The Li(3)-O(8) bond length is 1.98 Å. In the fourth Li site, Li(4) is bonded in a 8-coordinate geometry to one Mn(1), one Co(1), one O(1), one O(2), one O(5), one O(7), and two equivalent O(6) atoms. The Li(4)-Mn(1) bond length is 2.20 Å. The Li(4)-Co(1) bond length is 2.19 Å. The Li(4)-O(1) bond length is 2.41 Å. The Li(4)-O(2) bond length is 2.52 Å. The Li(4)-O(5) bond length is 2.39 Å. The Li(4)-O(7) bond length is 1.87 Å. There is one shorter (2.05 Å) and one longer (2.20 Å) Li(4)-O(6) bond length. In the fifth Li site, Li(5) is bonded in a distorted square co-planar geometry to two equivalent Li(2), two equivalent O(4), two equivalent O(7), and two equivalent O(8) atoms. Both Li(5)-O(4) bond lengths are 2.50 Å. Both Li(5)-O(7) bond lengths are 2.08 Å. Both Li(5)-O(8) bond lengths are 2.18 Å. Mn(1) is bonded in a 4-coordinate geometry to one Li(2), one Li(4), one O(2), one O(3), one O(4), one O(5), and one O(7) atom. The Mn(1)-O(2) bond length is 2.04 Å. The Mn(1)-O(3) bond length is 1.97 Å. The Mn(1)-O(4) bond length is 1.80 Å. The Mn(1)-O(5) bond length is 2.01 Å. The Mn(1)-O(7) bond length is 2.21 Å. There are three inequivalent Co sites. In the first Co site, Co(1) is bonded in a 8-coordinate geometry to one Li(1), one Li(4), one O(1), one O(5), two equivalent O(2), and two equivalent O(6) atoms. The Co(1)-O(1) bond length is 1.92 Å. The Co(1)-O(5) bond length is 1.97 Å. There is one shorter (2.17 Å) and one longer (2.33 Å) Co(1)-O(2) bond length. There is one shorter (2.18 Å) and one longer (2.33 Å) Co(1)-O(6) bond length. In the second Co site, Co(2) is bonded in a 8-coordinate geometry to one Li(1), one Li(3), one O(1), one O(3), one O(5), one O(6), one O(7), and one O(8) atom. The Co(2)-O(1) bond length is 2.23 Å. The Co(2)-O(3) bond length is 2.31 Å. The Co(2)-O(5) bond length is 2.36 Å. The Co(2)-O(6) bond length is 1.98 Å. The Co(2)-O(7) bond length is 2.12 Å. The Co(2)-O(8) bond length is 1.91 Å. In the third Co site, Co(3) is bonded in a 8-coordinate geometry to two equivalent Li(3), two equivalent O(3), two equivalent O(4), and two equivalent O(8) atoms. Both Co(3)-O(3) bond lengths are 1.99 Å. Both Co(3)-O(4) bond lengths are 2.21 Å. Both Co(3)-O(8) bond lengths are 2.32 Å. There are eight inequivalent O sites. In the first O site, O(1) is bonded in a 4-coordinate geometry to one Li(1), one Li(2), one Li(4), one Co(1), and one Co(2) atom. In the second O site, O(2) is bonded in a 4-coordinate geometry to one Li(4), two equivalent Li(1), one Mn(1), and two equivalent Co(1) atoms. In the third O site, O(3) is bonded in a 7-coordinate geometry to one Li(1), one Li(2), one Li(3), one Mn(1), one Co(2), one Co(3), and one O(8) atom. The O(3)-O(8) bond length is 1.96 Å. In the fourth O site, O(4) is bonded in a 6-coordinate geometry to one Li(3), one Li(5), two equivalent Li(2), one Mn(1), and one Co(3) atom. In the fifth O site, O(5) is bonded in a 4-coordinate geometry to one Li(1), one Li(3), one Li(4), one Mn(1), one Co(1), and one Co(2) atom. In the sixth O site, O(6) is bonded in a 4-coordinate geometry to one Li(1), two equivalent Li(4), one Co(2), and two equivalent Co(1) atoms. In the seventh O site, O(7) is bonded in a 5-coordinate geometry to one Li(2), one Li(3), one Li(4), one Li(5), one Mn(1), and one Co(2) atom. In the eighth O site, O(8) is bonded in a 4-coordinate geometry to one Li(2), one Li(3), one Li(5), one Co(2), one Co(3), and one O(3) atom.