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 3-coordinate geometry to one O(3), one O(6), and one O(7) atom. In the second Li site, Li(2) is bonded in a 2-coordinate geometry to one O(4) and two equivalent O(5) atoms. In the third Li site, Li(3) is bonded in a 4-coordinate geometry to one O(1), one O(2), one O(7), and two equivalent O(3) atoms. In the fourth Li site, Li(4) is bonded in a 4-coordinate geometry to one O(1), one O(2), one O(4), and one O(8) atom. In the fifth Li site, Li(5) is bonded in a 4-coordinate geometry to two equivalent O(3), two equivalent O(5), and two equivalent O(8) atoms. Mn(1) is bonded in a 2-coordinate geometry to one O(1), one O(2), one O(3), and one O(4) atom. There are three inequivalent Co sites. In the first Co site, Co(1) is bonded in a 2-coordinate geometry to one O(1), one O(3), and one O(6) atom. In the second Co site, Co(2) is bonded in a 4-coordinate geometry to one O(2), one O(4), one O(5), and one O(8) atom. In the third Co site, Co(3) is bonded in a 4-coordinate geometry to two equivalent O(6) and two equivalent O(7) atoms. There are eight inequivalent O sites. In the first O site, O(1) is bonded in a 4-coordinate geometry to one Li(3), one Li(4), one Mn(1), and one Co(1) atom. In the second O site, O(2) is bonded in a 4-coordinate geometry to one Li(3), one Li(4), one Mn(1), and one Co(2) atom. In the third O site, O(3) is bonded in a 6-coordinate geometry to one Li(1), one Li(5), two equivalent Li(3), one Mn(1), and one Co(1) atom. In the fourth O site, O(4) is bonded in a 4-coordinate geometry to one Li(2), one Li(4), one Mn(1), and one Co(2) atom. In the fifth O site, O(5) is bonded in a 4-coordinate geometry to one Li(5), two equivalent Li(2), and one Co(2) atom. In the sixth O site, O(6) is bonded in a 3-coordinate geometry to one Li(1), one Co(1), and one Co(3) atom. In the seventh O site, O(7) is bonded in a 3-coordinate geometry to one Li(1), one Li(3), and one Co(3) atom. In the eighth O site, O(8) is bonded in a 3-coordinate geometry to one Li(4), one Li(5), and one Co(2) 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 3-coordinate geometry to one O(3), one O(6), and one O(7) atom. The Li(1)-O(3) bond length is 2.00 Å. The Li(1)-O(6) bond length is 2.01 Å. The Li(1)-O(7) bond length is 2.20 Å. In the second Li site, Li(2) is bonded in a 2-coordinate geometry to one O(4) and two equivalent O(5) atoms. The Li(2)-O(4) bond length is 1.99 Å. There is one shorter (2.04 Å) and one longer (2.41 Å) Li(2)-O(5) bond length. In the third Li site, Li(3) is bonded in a 4-coordinate geometry to one O(1), one O(2), one O(7), and two equivalent O(3) atoms. The Li(3)-O(1) bond length is 2.32 Å. The Li(3)-O(2) bond length is 1.98 Å. The Li(3)-O(7) bond length is 2.02 Å. There is one shorter (2.25 Å) and one longer (2.55 Å) Li(3)-O(3) bond length. In the fourth Li site, Li(4) is bonded in a 4-coordinate geometry to one O(1), one O(2), one O(4), and one O(8) atom. The Li(4)-O(1) bond length is 1.94 Å. The Li(4)-O(2) bond length is 2.38 Å. The Li(4)-O(4) bond length is 2.26 Å. The Li(4)-O(8) bond length is 1.90 Å. In the fifth Li site, Li(5) is bonded in a 4-coordinate geometry to two equivalent O(3), two equivalent O(5), and two equivalent O(8) atoms. Both Li(5)-O(3) bond lengths are 2.45 Å. Both Li(5)-O(5) bond lengths are 2.14 Å. Both Li(5)-O(8) bond lengths are 2.01 Å. Mn(1) is bonded in a 2-coordinate geometry to one O(1), one O(2), one O(3), and one O(4) atom. The Mn(1)-O(1) bond length is 2.22 Å. The Mn(1)-O(2) bond length is 2.13 Å. The Mn(1)-O(3) bond length is 1.83 Å. The Mn(1)-O(4) bond length is 1.85 Å. There are three inequivalent Co sites. In the first Co site, Co(1) is bonded in a 2-coordinate geometry to one O(1), one O(3), and one O(6) atom. The Co(1)-O(1) bond length is 1.86 Å. The Co(1)-O(3) bond length is 2.23 Å. The Co(1)-O(6) bond length is 1.94 Å. In the second Co site, Co(2) is bonded in a 4-coordinate geometry to one O(2), one O(4), one O(5), and one O(8) atom. The Co(2)-O(2) bond length is 1.87 Å. The Co(2)-O(4) bond length is 2.18 Å. The Co(2)-O(5) bond length is 1.83 Å. The Co(2)-O(8) bond length is 1.99 Å. In the third Co site, Co(3) is bonded in a 4-coordinate geometry to two equivalent O(6) and two equivalent O(7) atoms. Both Co(3)-O(6) bond lengths are 2.02 Å. Both Co(3)-O(7) bond lengths are 1.82 Å. There are eight inequivalent O sites. In the first O site, O(1) is bonded in a 4-coordinate geometry to one Li(3), one Li(4), one Mn(1), and one Co(1) atom. In the second O site, O(2) is bonded in a 4-coordinate geometry to one Li(3), one Li(4), one Mn(1), and one Co(2) atom. In the third O site, O(3) is bonded in a 6-coordinate geometry to one Li(1), one Li(5), two equivalent Li(3), one Mn(1), and one Co(1) atom. In the fourth O site, O(4) is bonded in a 4-coordinate geometry to one Li(2), one Li(4), one Mn(1), and one Co(2) atom. In the fifth O site, O(5) is bonded in a 4-coordinate geometry to one Li(5), two equivalent Li(2), and one Co(2) atom. In the sixth O site, O(6) is bonded in a 3-coordinate geometry to one Li(1), one Co(1), and one Co(3) atom. In the seventh O site, O(7) is bonded in a 3-coordinate geometry to one Li(1), one Li(3), and one Co(3) atom. In the eighth O site, O(8) is bonded in a 3-coordinate geometry to one Li(4), one Li(5), and one Co(2) atom.