Li9Mn2Co5O16 crystallizes in the triclinic P1 space group. There are nine inequivalent Li sites. In the first Li site, Li(1) is bonded in a 4-coordinate geometry to one Co(1), one O(1), one O(16), one O(2), one O(5), and one O(9) atom. In the second Li site, Li(2) is bonded in a 8-coordinate geometry to one Co(2), one Co(4), one O(10), one O(14), one O(2), one O(3), one O(6), and one O(9) atom. In the third Li site, Li(3) is bonded in a 8-coordinate geometry to one Co(3), one Co(5), one O(10), one O(11), one O(15), one O(3), one O(4), and one O(7) atom. In the fourth Li site, Li(4) is bonded in a 8-coordinate geometry to one Li(9), one Mn(2), one O(11), one O(12), one O(16), one O(4), one O(5), and one O(8) atom. In the fifth Li site, Li(5) is bonded in a 8-coordinate geometry to one Mn(1), one Co(4), one O(1), one O(12), one O(13), one O(5), one O(6), and one O(9) atom. In the sixth Li site, Li(6) is bonded in a 4-coordinate geometry to one Co(1), one Co(5), one O(13), one O(14), one O(2), one O(6), and one O(7) atom. In the seventh Li site, Li(7) is bonded in a 8-coordinate geometry to one Mn(2), one Co(2), one O(11), one O(14), one O(15), one O(3), one O(7), and one O(8) atom. In the eighth Li site, Li(8) is bonded in a 7-coordinate geometry to one Mn(1), one Co(3), one O(1), one O(12), one O(15), one O(16), and one O(8) atom. In the ninth Li site, Li(9) is bonded in a 4-coordinate geometry to one Li(4), one O(1), one O(12), one O(13), one O(5), and one O(8) atom. There are two inequivalent Mn sites. In the first Mn site, Mn(1) is bonded in a 4-coordinate geometry to one Li(5), one Li(8), one O(16), one O(4), one O(5), and one O(9) atom. In the second Mn site, Mn(2) is bonded in a 4-coordinate geometry to one Li(4), one Li(7), one O(15), one O(16), one O(3), one O(4), and one O(8) atom. There are five inequivalent Co sites. In the first Co site, Co(1) is bonded in a 8-coordinate geometry to one Li(1), one Li(6), one O(10), one O(13), one O(2), one O(5), one O(6), and one O(9) atom. In the second Co site, Co(2) is bonded in a 8-coordinate geometry to one Li(2), one Li(7), one O(10), one O(11), one O(14), one O(3), one O(6), and one O(7) atom. In the third Co site, Co(3) is bonded in a 8-coordinate geometry to one Li(3), one Li(8), one O(11), one O(12), one O(15), one O(4), one O(7), and one O(8) atom. In the fourth Co site, Co(4) is bonded in a 6-coordinate geometry to one Li(2), one Li(5), one O(1), one O(13), one O(14), and one O(2) atom. In the fifth Co site, Co(5) is bonded in a distorted hexagonal bipyramidal geometry to one Li(3), one Li(6), one O(10), one O(14), one O(15), one O(2), one O(3), and one O(7) atom. There are sixteen inequivalent O sites. In the first O site, O(1) is bonded in a 4-coordinate geometry to one Li(1), one Li(5), one Li(8), one Li(9), and one Co(4) atom. In the second O site, O(2) is bonded in a 7-coordinate geometry to one Li(1), one Li(2), one Li(6), one Co(1), one Co(4), one Co(5), and one O(10) atom. In the third O site, O(3) is bonded in a 4-coordinate geometry to one Li(2), one Li(3), one Li(7), one Mn(2), one Co(2), and one Co(5) atom. In the fourth O site, O(4) is bonded in a 4-coordinate geometry to one Li(3), one Li(4), one Mn(1), one Mn(2), and one Co(3) atom. In the fifth O site, O(5) is bonded in a 6-coordinate geometry to one Li(1), one Li(4), one Li(5), one Li(9), one Mn(1), and one Co(1) atom. In the sixth O site, O(6) is bonded in a 5-coordinate geometry to one Li(2), one Li(5), one Li(6), one Co(1), and one Co(2) atom. In the seventh O site, O(7) is bonded in a 4-coordinate geometry to one Li(3), one Li(6), one Li(7), one Co(2), one Co(3), and one Co(5) atom. In the eighth O site, O(8) is bonded in a 5-coordinate geometry to one Li(4), one Li(7), one Li(8), one Li(9), one Mn(2), and one Co(3) atom. In the ninth O site, O(9) is bonded in a 5-coordinate geometry to one Li(1), one Li(2), one Li(5), one Mn(1), and one Co(1) atom. In the tenth O site, O(10) is bonded in a 4-coordinate geometry to one Li(2), one Li(3), one Co(1), one Co(2), one Co(5), and one O(2) atom. In the eleventh O site, O(11) is bonded in a 4-coordinate geometry to one Li(3), one Li(4), one Li(7), one Co(2), and one Co(3) atom. In the twelfth O site, O(12) is bonded in a 4-coordinate geometry to one Li(4), one Li(5), one Li(8), one Li(9), and one Co(3) atom. In the thirteenth O site, O(13) is bonded in a 5-coordinate geometry to one Li(5), one Li(6), one Li(9), one Co(1), and one Co(4) atom. In the fourteenth O site, O(14) is bonded in a 4-coordinate geometry to one Li(2), one Li(6), one Li(7), one Co(2), one Co(4), and one Co(5) atom. In the fifteenth O site, O(15) is bonded in a 4-coordinate geometry to one Li(3), one Li(7), one Li(8), one Mn(2), one Co(3), and one Co(5) atom. In the sixteenth O site, O(16) is bonded in a 4-coordinate geometry to one Li(1), one Li(4), one Li(8), one Mn(1), and one Mn(2) atom.
Li9Mn2Co5O16 crystallizes in the triclinic P1 space group. There are nine inequivalent Li sites. In the first Li site, Li(1) is bonded in a 4-coordinate geometry to one Co(1), one O(1), one O(16), one O(2), one O(5), and one O(9) atom. The Li(1)-Co(1) bond length is 2.22 Å. The Li(1)-O(1) bond length is 2.14 Å. The Li(1)-O(16) bond length is 2.13 Å. The Li(1)-O(2) bond length is 2.05 Å. The Li(1)-O(5) bond length is 2.42 Å. The Li(1)-O(9) bond length is 2.10 Å. In the second Li site, Li(2) is bonded in a 8-coordinate geometry to one Co(2), one Co(4), one O(10), one O(14), one O(2), one O(3), one O(6), and one O(9) atom. The Li(2)-Co(2) bond length is 2.20 Å. The Li(2)-Co(4) bond length is 2.22 Å. The Li(2)-O(10) bond length is 2.18 Å. The Li(2)-O(14) bond length is 2.54 Å. The Li(2)-O(2) bond length is 2.39 Å. The Li(2)-O(3) bond length is 2.07 Å. The Li(2)-O(6) bond length is 2.30 Å. The Li(2)-O(9) bond length is 2.10 Å. In the third Li site, Li(3) is bonded in a 8-coordinate geometry to one Co(3), one Co(5), one O(10), one O(11), one O(15), one O(3), one O(4), and one O(7) atom. The Li(3)-Co(3) bond length is 2.19 Å. The Li(3)-Co(5) bond length is 2.23 Å. The Li(3)-O(10) bond length is 1.93 Å. The Li(3)-O(11) bond length is 2.34 Å. The Li(3)-O(15) bond length is 2.58 Å. The Li(3)-O(3) bond length is 2.10 Å. The Li(3)-O(4) bond length is 2.08 Å. The Li(3)-O(7) bond length is 2.46 Å. In the fourth Li site, Li(4) is bonded in a 8-coordinate geometry to one Li(9), one Mn(2), one O(11), one O(12), one O(16), one O(4), one O(5), and one O(8) atom. The Li(4)-Li(9) bond length is 2.15 Å. The Li(4)-Mn(2) bond length is 2.27 Å. The Li(4)-O(11) bond length is 2.11 Å. The Li(4)-O(12) bond length is 2.09 Å. The Li(4)-O(16) bond length is 2.36 Å. The Li(4)-O(4) bond length is 2.33 Å. The Li(4)-O(5) bond length is 2.07 Å. The Li(4)-O(8) bond length is 2.59 Å. In the fifth Li site, Li(5) is bonded in a 8-coordinate geometry to one Mn(1), one Co(4), one O(1), one O(12), one O(13), one O(5), one O(6), and one O(9) atom. The Li(5)-Mn(1) bond length is 2.20 Å. The Li(5)-Co(4) bond length is 2.17 Å. The Li(5)-O(1) bond length is 2.47 Å. The Li(5)-O(12) bond length is 2.03 Å. The Li(5)-O(13) bond length is 2.34 Å. The Li(5)-O(5) bond length is 2.36 Å. The Li(5)-O(6) bond length is 2.15 Å. The Li(5)-O(9) bond length is 2.36 Å. In the sixth Li site, Li(6) is bonded in a 4-coordinate geometry to one Co(1), one Co(5), one O(13), one O(14), one O(2), one O(6), and one O(7) atom. The Li(6)-Co(1) bond length is 2.19 Å. The Li(6)-Co(5) bond length is 2.22 Å. The Li(6)-O(13) bond length is 1.88 Å. The Li(6)-O(14) bond length is 2.18 Å. The Li(6)-O(2) bond length is 2.54 Å. The Li(6)-O(6) bond length is 2.12 Å. The Li(6)-O(7) bond length is 2.03 Å. In the seventh Li site, Li(7) is bonded in a 8-coordinate geometry to one Mn(2), one Co(2), one O(11), one O(14), one O(15), one O(3), one O(7), and one O(8) atom. The Li(7)-Mn(2) bond length is 2.20 Å. The Li(7)-Co(2) bond length is 2.22 Å. The Li(7)-O(11) bond length is 2.48 Å. The Li(7)-O(14) bond length is 1.99 Å. The Li(7)-O(15) bond length is 2.39 Å. The Li(7)-O(3) bond length is 2.49 Å. The Li(7)-O(7) bond length is 2.11 Å. The Li(7)-O(8) bond length is 1.91 Å. In the eighth Li site, Li(8) is bonded in a 7-coordinate geometry to one Mn(1), one Co(3), one O(1), one O(12), one O(15), one O(16), and one O(8) atom. The Li(8)-Mn(1) bond length is 2.29 Å. The Li(8)-Co(3) bond length is 2.15 Å. The Li(8)-O(1) bond length is 1.89 Å. The Li(8)-O(12) bond length is 2.32 Å. The Li(8)-O(15) bond length is 2.14 Å. The Li(8)-O(16) bond length is 2.23 Å. The Li(8)-O(8) bond length is 2.35 Å. In the ninth Li site, Li(9) is bonded in a 4-coordinate geometry to one Li(4), one O(1), one O(12), one O(13), one O(5), and one O(8) atom. The Li(9)-O(1) bond length is 2.13 Å. The Li(9)-O(12) bond length is 2.15 Å. The Li(9)-O(13) bond length is 2.10 Å. The Li(9)-O(5) bond length is 2.41 Å. The Li(9)-O(8) bond length is 2.14 Å. There are two inequivalent Mn sites. In the first Mn site, Mn(1) is bonded in a 4-coordinate geometry to one Li(5), one Li(8), one O(16), one O(4), one O(5), and one O(9) atom. The Mn(1)-O(16) bond length is 2.04 Å. The Mn(1)-O(4) bond length is 2.01 Å. The Mn(1)-O(5) bond length is 1.97 Å. The Mn(1)-O(9) bond length is 1.85 Å. In the second Mn site, Mn(2) is bonded in a 4-coordinate geometry to one Li(4), one Li(7), one O(15), one O(16), one O(3), one O(4), and one O(8) atom. The Mn(2)-O(15) bond length is 1.98 Å. The Mn(2)-O(16) bond length is 1.84 Å. The Mn(2)-O(3) bond length is 2.00 Å. The Mn(2)-O(4) bond length is 2.00 Å. The Mn(2)-O(8) bond length is 2.22 Å. There are five inequivalent Co sites. In the first Co site, Co(1) is bonded in a 8-coordinate geometry to one Li(1), one Li(6), one O(10), one O(13), one O(2), one O(5), one O(6), and one O(9) atom. The Co(1)-O(10) bond length is 2.03 Å. The Co(1)-O(13) bond length is 2.20 Å. The Co(1)-O(2) bond length is 2.32 Å. The Co(1)-O(5) bond length is 1.91 Å. The Co(1)-O(6) bond length is 2.20 Å. The Co(1)-O(9) bond length is 2.23 Å. In the second Co site, Co(2) is bonded in a 8-coordinate geometry to one Li(2), one Li(7), one O(10), one O(11), one O(14), one O(3), one O(6), and one O(7) atom. The Co(2)-O(10) bond length is 2.15 Å. The Co(2)-O(11) bond length is 1.97 Å. The Co(2)-O(14) bond length is 2.32 Å. The Co(2)-O(3) bond length is 2.36 Å. The Co(2)-O(6) bond length is 1.85 Å. The Co(2)-O(7) bond length is 2.14 Å. In the third Co site, Co(3) is bonded in a 8-coordinate geometry to one Li(3), one Li(8), one O(11), one O(12), one O(15), one O(4), one O(7), and one O(8) atom. The Co(3)-O(11) bond length is 2.02 Å. The Co(3)-O(12) bond length is 1.96 Å. The Co(3)-O(15) bond length is 2.33 Å. The Co(3)-O(4) bond length is 2.35 Å. The Co(3)-O(7) bond length is 1.99 Å. The Co(3)-O(8) bond length is 1.97 Å. In the fourth Co site, Co(4) is bonded in a 6-coordinate geometry to one Li(2), one Li(5), one O(1), one O(13), one O(14), and one O(2) atom. The Co(4)-O(1) bond length is 2.02 Å. The Co(4)-O(13) bond length is 1.93 Å. The Co(4)-O(14) bond length is 1.97 Å. The Co(4)-O(2) bond length is 1.98 Å. In the fifth Co site, Co(5) is bonded in a distorted hexagonal bipyramidal geometry to one Li(3), one Li(6), one O(10), one O(14), one O(15), one O(2), one O(3), and one O(7) atom. The Co(5)-O(10) bond length is 2.28 Å. The Co(5)-O(14) bond length is 2.14 Å. The Co(5)-O(15) bond length is 2.00 Å. The Co(5)-O(2) bond length is 1.99 Å. The Co(5)-O(3) bond length is 2.19 Å. The Co(5)-O(7) bond length is 2.31 Å. There are sixteen inequivalent O sites. In the first O site, O(1) is bonded in a 4-coordinate geometry to one Li(1), one Li(5), one Li(8), one Li(9), and one Co(4) atom. In the second O site, O(2) is bonded in a 7-coordinate geometry to one Li(1), one Li(2), one Li(6), one Co(1), one Co(4), one Co(5), and one O(10) atom. The O(2)-O(10) bond length is 1.94 Å. In the third O site, O(3) is bonded in a 4-coordinate geometry to one Li(2), one Li(3), one Li(7), one Mn(2), one Co(2), and one Co(5) atom. In the fourth O site, O(4) is bonded in a 4-coordinate geometry to one Li(3), one Li(4), one Mn(1), one Mn(2), and one Co(3) atom. In the fifth O site, O(5) is bonded in a 6-coordinate geometry to one Li(1), one Li(4), one Li(5), one Li(9), one Mn(1), and one Co(1) atom. In the sixth O site, O(6) is bonded in a 5-coordinate geometry to one Li(2), one Li(5), one Li(6), one Co(1), and one Co(2) atom. In the seventh O site, O(7) is bonded in a 4-coordinate geometry to one Li(3), one Li(6), one Li(7), one Co(2), one Co(3), and one Co(5) atom. In the eighth O site, O(8) is bonded in a 5-coordinate geometry to one Li(4), one Li(7), one Li(8), one Li(9), one Mn(2), and one Co(3) atom. In the ninth O site, O(9) is bonded in a 5-coordinate geometry to one Li(1), one Li(2), one Li(5), one Mn(1), and one Co(1) atom. In the tenth O site, O(10) is bonded in a 4-coordinate geometry to one Li(2), one Li(3), one Co(1), one Co(2), one Co(5), and one O(2) atom. In the eleventh O site, O(11) is bonded in a 4-coordinate geometry to one Li(3), one Li(4), one Li(7), one Co(2), and one Co(3) atom. In the twelfth O site, O(12) is bonded in a 4-coordinate geometry to one Li(4), one Li(5), one Li(8), one Li(9), and one Co(3) atom. In the thirteenth O site, O(13) is bonded in a 5-coordinate geometry to one Li(5), one Li(6), one Li(9), one Co(1), and one Co(4) atom. In the fourteenth O site, O(14) is bonded in a 4-coordinate geometry to one Li(2), one Li(6), one Li(7), one Co(2), one Co(4), and one Co(5) atom. In the fifteenth O site, O(15) is bonded in a 4-coordinate geometry to one Li(3), one Li(7), one Li(8), one Mn(2), one Co(3), and one Co(5) atom. In the sixteenth O site, O(16) is bonded in a 4-coordinate geometry to one Li(1), one Li(4), one Li(8), one Mn(1), and one Mn(2) atom.