Li9Mn2Co5O16 is Caswellsilverite-derived structured and crystallizes in the monoclinic Pm space group. There are nine inequivalent Li sites. In the first Li site, Li(1) is bonded to one O(1), one O(9), two equivalent O(16), and two equivalent O(4) atoms to form LiO6 octahedra that share  a cornercorner with one Mn(2)O6 octahedra,  a cornercorner with one Co(5)O6 octahedra, corners with four equivalent Li(9)O6 octahedra, edges with two equivalent Li(1)O6 octahedra, edges with two equivalent Li(4)O6 octahedra, edges with two equivalent Li(8)O6 octahedra, edges with two equivalent Li(9)O6 octahedra, and edges with two equivalent Mn(1)O6 octahedra. The corner-sharing octahedral tilt angles range from 5-10°. In the second Li site, Li(2) is bonded to one O(10), one O(2), two equivalent O(12), and two equivalent O(5) atoms to form LiO6 octahedra that share  a cornercorner with one Li(9)O6 octahedra,  a cornercorner with one Co(4)O6 octahedra, corners with four equivalent Mn(2)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 Mn(2)O6 octahedra, and edges with two equivalent Co(2)O6 octahedra. The corner-sharing octahedral tilt angles range from 3-7°. In the third Li site, Li(3) is bonded to one O(11), one O(3), two equivalent O(13), and two equivalent O(6) atoms to form LiO6 octahedra that share  a cornercorner with one Mn(2)O6 octahedra,  a cornercorner with one Co(5)O6 octahedra, corners with four equivalent Co(4)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, 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 4-7°. In the fourth Li site, Li(4) is bonded to one O(12), one O(4), two equivalent O(2), and two equivalent O(9) atoms to form LiO6 octahedra that share  a cornercorner with one Mn(1)O6 octahedra,  a cornercorner 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 Li(9)O6 octahedra, and edges with two equivalent Mn(2)O6 octahedra. The corner-sharing octahedral tilt angles range from 2-12°. In the fifth Li site, Li(5) is bonded to one O(13), one O(5), two equivalent O(10), and two equivalent O(3) atoms to form LiO6 octahedra that share  a cornercorner with one Co(3)O6 octahedra, corners with four equivalent Co(2)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 Mn(2)O6 octahedra, edges with two equivalent Co(2)O6 octahedra, and edges with two equivalent Co(4)O6 octahedra. The corner-sharing octahedral tilt angles range from 2-8°. In the sixth Li site, Li(6) is bonded to one O(14), one O(6), two equivalent O(11), and two equivalent O(7) atoms to form LiO6 octahedra that share  a cornercorner with one Mn(1)O6 octahedra,  a cornercorner with one Co(2)O6 octahedra, corners with four equivalent Co(3)O6 octahedra, edges with two equivalent Li(3)O6 octahedra, edges with two equivalent Li(6)O6 octahedra, edges with two equivalent Li(7)O6 octahedra, edges with two equivalent Co(3)O6 octahedra, edges with two equivalent Co(4)O6 octahedra, and edges with two equivalent Co(5)O6 octahedra. The corner-sharing octahedral tilt angles range from 3-7°. In the seventh Li site, Li(7) is bonded to one O(15), one O(7), two equivalent O(14), and two equivalent O(8) atoms to form LiO6 octahedra that share  a cornercorner with one Li(9)O6 octahedra,  a cornercorner with one Co(4)O6 octahedra, corners with four equivalent Co(5)O6 octahedra, edges with two equivalent Li(6)O6 octahedra, edges with two equivalent Li(7)O6 octahedra, edges with two equivalent Li(8)O6 octahedra, edges with two equivalent Mn(1)O6 octahedra, edges with two equivalent Co(3)O6 octahedra, and edges with two equivalent Co(5)O6 octahedra. The corner-sharing octahedral tilt angles range from 5-8°. In the eighth Li site, Li(8) is bonded to one O(16), one O(8), two equivalent O(1), and two equivalent O(15) atoms to form LiO6 octahedra that share  a cornercorner with one Co(3)O6 octahedra, corners with four equivalent Mn(1)O6 octahedra, edges with two equivalent Li(1)O6 octahedra, edges with two equivalent Li(7)O6 octahedra, edges with two equivalent Li(8)O6 octahedra, edges with two equivalent Li(9)O6 octahedra, edges with two equivalent Mn(1)O6 octahedra, and edges with two equivalent Co(5)O6 octahedra. The corner-sharing octahedral tilt angles range from 7-11°. In the ninth Li site, Li(9) is bonded to one O(15), one O(2), two equivalent O(16), and two equivalent O(4) atoms to form LiO6 octahedra that share  a cornercorner with one Li(2)O6 octahedra,  a cornercorner with one Li(7)O6 octahedra, corners with four equivalent Li(1)O6 octahedra, edges with two equivalent Li(1)O6 octahedra, edges with two equivalent Li(4)O6 octahedra, edges with two equivalent Li(8)O6 octahedra, edges with two equivalent Li(9)O6 octahedra, and edges with two equivalent Mn(1)O6 octahedra. The corner-sharing octahedral tilt angles range from 5-10°. There are two inequivalent Mn sites. In the first Mn site, Mn(1) is bonded to one O(14), one O(4), two equivalent O(1), and two equivalent O(15) atoms to form MnO6 octahedra that share  a cornercorner with one Li(4)O6 octahedra,  a cornercorner with one Li(6)O6 octahedra, corners with four equivalent Li(8)O6 octahedra, edges with two equivalent Li(1)O6 octahedra, edges with two equivalent Li(7)O6 octahedra, edges with two equivalent Li(8)O6 octahedra, edges with two equivalent Li(9)O6 octahedra, edges with two equivalent Mn(1)O6 octahedra, and edges with two equivalent Co(5)O6 octahedra. The corner-sharing octahedral tilt angles range from 2-11°. In the second Mn site, Mn(2) is bonded to one O(3), one O(9), two equivalent O(12), and two equivalent O(5) atoms to form MnO6 octahedra that share  a cornercorner with one Li(1)O6 octahedra,  a cornercorner with one Li(3)O6 octahedra, corners with four equivalent Li(2)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 Mn(2)O6 octahedra, and edges with two equivalent Co(2)O6 octahedra. The corner-sharing octahedral tilt angles range from 4-7°. There are five inequivalent Co sites. In the first Co site, Co(1) is bonded in a 6-coordinate geometry to one O(16), one O(5), two equivalent O(2), and two equivalent O(9) atoms. In the second Co site, Co(2) is bonded to one O(12), one O(6), two equivalent O(10), and two equivalent O(3) atoms to form CoO6 octahedra that share  a cornercorner with one Li(4)O6 octahedra,  a cornercorner with one Li(6)O6 octahedra, corners with four equivalent Li(5)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 Mn(2)O6 octahedra, edges with two equivalent Co(2)O6 octahedra, and edges with two equivalent Co(4)O6 octahedra. The corner-sharing octahedral tilt angles range from 2-12°. In the third Co site, Co(3) is bonded to one O(13), one O(8), two equivalent O(11), and two equivalent O(7) atoms to form CoO6 octahedra that share  a cornercorner with one Li(5)O6 octahedra,  a cornercorner with one Li(8)O6 octahedra, corners with four equivalent Li(6)O6 octahedra, edges with two equivalent Li(3)O6 octahedra, edges with two equivalent Li(6)O6 octahedra, edges with two equivalent Li(7)O6 octahedra, edges with two equivalent Co(3)O6 octahedra, edges with two equivalent Co(4)O6 octahedra, and edges with two equivalent Co(5)O6 octahedra. The corner-sharing octahedral tilt angles range from 3-8°. In the fourth Co site, Co(4) is bonded to one O(10), one O(7), two equivalent O(13), and two equivalent O(6) atoms to form CoO6 octahedra that share  a cornercorner with one Li(2)O6 octahedra,  a cornercorner with one Li(7)O6 octahedra, corners with four equivalent Li(3)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, 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 fifth Co site, Co(5) is bonded to one O(1), one O(11), two equivalent O(14), and two equivalent O(8) atoms to form CoO6 octahedra that share  a cornercorner with one Li(1)O6 octahedra,  a cornercorner with one Li(3)O6 octahedra, corners with four equivalent Li(7)O6 octahedra, edges with two equivalent Li(6)O6 octahedra, edges with two equivalent Li(7)O6 octahedra, edges with two equivalent Li(8)O6 octahedra, edges with two equivalent Mn(1)O6 octahedra, edges with two equivalent Co(3)O6 octahedra, and edges with two equivalent Co(5)O6 octahedra. The corner-sharing octahedral tilt angles range from 4-7°. There are sixteen inequivalent O sites. In the first O site, O(1) is bonded to one Li(1), two equivalent Li(8), two equivalent Mn(1), and one Co(5) atom to form OLi3Mn2Co octahedra that share  a cornercorner with one O(11)Li3Co3 octahedra,  a cornercorner with one O(9)Li3MnCo2 octahedra, corners with four equivalent O(15)Li4Mn2 octahedra, edges with two equivalent O(8)Li3Co3 octahedra, edges with two equivalent O(1)Li3Mn2Co octahedra, edges with two equivalent O(14)Li3MnCo2 octahedra, edges with two equivalent O(15)Li4Mn2 octahedra, edges with two equivalent O(16)Li5Co octahedra, and edges with two equivalent O(4)Li5Mn octahedra. The corner-sharing octahedral tilt angles range from 1-10°. In the second O site, O(2) is bonded to one Li(2), one Li(9), two equivalent Li(4), and two equivalent Co(1) atoms to form OLi4Co2 octahedra that share  a cornercorner with one O(10)Li3Co3 octahedra,  a cornercorner with one O(15)Li4Mn2 octahedra, corners with four equivalent O(9)Li3MnCo2 octahedra, edges with two equivalent O(12)Li3Mn2Co octahedra, edges with two equivalent O(5)Li3Mn2Co octahedra, edges with two equivalent O(9)Li3MnCo2 octahedra, edges with two equivalent O(2)Li4Co2 octahedra, edges with two equivalent O(16)Li5Co octahedra, and edges with two equivalent O(4)Li5Mn octahedra. The corner-sharing octahedral tilt angles range from 0-20°. In the third O site, O(3) is bonded to one Li(3), two equivalent Li(5), one Mn(2), and two equivalent Co(2) atoms to form OLi3MnCo2 octahedra that share  a cornercorner with one O(11)Li3Co3 octahedra,  a cornercorner with one O(9)Li3MnCo2 octahedra, corners with four equivalent O(10)Li3Co3 octahedra, edges with two equivalent O(10)Li3Co3 octahedra, edges with two equivalent O(13)Li3Co3 octahedra, edges with two equivalent O(6)Li3Co3 octahedra, edges with two equivalent O(12)Li3Mn2Co octahedra, edges with two equivalent O(5)Li3Mn2Co octahedra, and edges with two equivalent O(3)Li3MnCo2 octahedra. The corner-sharing octahedral tilt angles range from 0-4°. In the fourth O site, O(4) is bonded to one Li(4), two equivalent Li(1), two equivalent Li(9), and one Mn(1) atom to form OLi5Mn octahedra that share  a cornercorner with one O(12)Li3Mn2Co octahedra,  a cornercorner with one O(14)Li3MnCo2 octahedra, corners with four equivalent O(16)Li5Co octahedra, edges with two equivalent O(1)Li3Mn2Co octahedra, edges with two equivalent O(9)Li3MnCo2 octahedra, edges with two equivalent O(2)Li4Co2 octahedra, edges with two equivalent O(15)Li4Mn2 octahedra, edges with two equivalent O(16)Li5Co octahedra, and edges with two equivalent O(4)Li5Mn octahedra. The corner-sharing octahedral tilt angles range from 2-7°. In the fifth O site, O(5) is bonded to one Li(5), two equivalent Li(2), two equivalent Mn(2), and one Co(1) atom to form distorted OLi3Mn2Co octahedra that share  a cornercorner with one O(13)Li3Co3 octahedra,  a cornercorner with one O(16)Li5Co octahedra, corners with four equivalent O(12)Li3Mn2Co octahedra, edges with two equivalent O(10)Li3Co3 octahedra, edges with two equivalent O(12)Li3Mn2Co octahedra, edges with two equivalent O(5)Li3Mn2Co octahedra, edges with two equivalent O(3)Li3MnCo2 octahedra, edges with two equivalent O(9)Li3MnCo2 octahedra, and edges with two equivalent O(2)Li4Co2 octahedra. The corner-sharing octahedral tilt angles range from 2-9°. In the sixth O site, O(6) is bonded to one Li(6), two equivalent Li(3), one Co(2), and two equivalent Co(4) atoms to form OLi3Co3 octahedra that share  a cornercorner with one O(12)Li3Mn2Co octahedra,  a cornercorner with one O(14)Li3MnCo2 octahedra, corners with four equivalent O(13)Li3Co3 octahedra, edges with two equivalent O(10)Li3Co3 octahedra, edges with two equivalent O(11)Li3Co3 octahedra, edges with two equivalent O(13)Li3Co3 octahedra, edges with two equivalent O(6)Li3Co3 octahedra, edges with two equivalent O(7)Li3Co3 octahedra, and edges with two equivalent O(3)Li3MnCo2 octahedra. The corner-sharing octahedral tilt angles range from 0-3°. In the seventh O site, O(7) is bonded to one Li(7), two equivalent Li(6), one Co(4), and two equivalent Co(3) atoms to form OLi3Co3 octahedra that share  a cornercorner with one O(10)Li3Co3 octahedra,  a cornercorner with one O(15)Li4Mn2 octahedra, corners with four equivalent O(11)Li3Co3 octahedra, edges with two equivalent O(11)Li3Co3 octahedra, edges with two equivalent O(13)Li3Co3 octahedra, edges with two equivalent O(6)Li3Co3 octahedra, edges with two equivalent O(7)Li3Co3 octahedra, edges with two equivalent O(8)Li3Co3 octahedra, and edges with two equivalent O(14)Li3MnCo2 octahedra. The corner-sharing octahedral tilt angles range from 1-2°. In the eighth O site, O(8) is bonded to one Li(8), two equivalent Li(7), one Co(3), and two equivalent Co(5) atoms to form OLi3Co3 octahedra that share  a cornercorner with one O(13)Li3Co3 octahedra,  a cornercorner with one O(16)Li5Co octahedra, corners with four equivalent O(14)Li3MnCo2 octahedra, edges with two equivalent O(11)Li3Co3 octahedra, edges with two equivalent O(7)Li3Co3 octahedra, edges with two equivalent O(8)Li3Co3 octahedra, edges with two equivalent O(1)Li3Mn2Co octahedra, edges with two equivalent O(14)Li3MnCo2 octahedra, and edges with two equivalent O(15)Li4Mn2 octahedra. The corner-sharing octahedral tilt angles range from 1-5°. In the ninth O site, O(9) is bonded to one Li(1), two equivalent Li(4), one Mn(2), and two equivalent Co(1) atoms to form distorted OLi3MnCo2 octahedra that share  a cornercorner with one O(1)Li3Mn2Co octahedra,  a cornercorner with one O(3)Li3MnCo2 octahedra, corners with four equivalent O(2)Li4Co2 octahedra, edges with two equivalent O(12)Li3Mn2Co octahedra, edges with two equivalent O(5)Li3Mn2Co octahedra, edges with two equivalent O(9)Li3MnCo2 octahedra, edges with two equivalent O(2)Li4Co2 octahedra, edges with two equivalent O(16)Li5Co octahedra, and edges with two equivalent O(4)Li5Mn octahedra. The corner-sharing octahedral tilt angles range from 0-20°. In the tenth O site, O(10) is bonded to one Li(2), two equivalent Li(5), one Co(4), and two equivalent Co(2) atoms to form OLi3Co3 octahedra that share  a cornercorner with one O(7)Li3Co3 octahedra,  a cornercorner with one O(2)Li4Co2 octahedra, corners with four equivalent O(3)Li3MnCo2 octahedra, edges with two equivalent O(10)Li3Co3 octahedra, edges with two equivalent O(13)Li3Co3 octahedra, edges with two equivalent O(6)Li3Co3 octahedra, edges with two equivalent O(12)Li3Mn2Co octahedra, edges with two equivalent O(5)Li3Mn2Co octahedra, and edges with two equivalent O(3)Li3MnCo2 octahedra. The corner-sharing octahedral tilt angles range from 1-4°. In the eleventh O site, O(11) is bonded to one Li(3), two equivalent Li(6), one Co(5), and two equivalent Co(3) atoms to form OLi3Co3 octahedra that share  a cornercorner with one O(1)Li3Mn2Co octahedra,  a cornercorner with one O(3)Li3MnCo2 octahedra, corners with four equivalent O(7)Li3Co3 octahedra, edges with two equivalent O(11)Li3Co3 octahedra, edges with two equivalent O(13)Li3Co3 octahedra, edges with two equivalent O(6)Li3Co3 octahedra, edges with two equivalent O(7)Li3Co3 octahedra, edges with two equivalent O(8)Li3Co3 octahedra, and edges with two equivalent O(14)Li3MnCo2 octahedra. The corner-sharing octahedral tilt angles range from 0-2°. In the twelfth O site, O(12) is bonded to one Li(4), two equivalent Li(2), two equivalent Mn(2), and one Co(2) atom to form OLi3Mn2Co octahedra that share  a cornercorner with one O(6)Li3Co3 octahedra,  a cornercorner with one O(4)Li5Mn octahedra, corners with four equivalent O(5)Li3Mn2Co octahedra, edges with two equivalent O(10)Li3Co3 octahedra, edges with two equivalent O(12)Li3Mn2Co octahedra, edges with two equivalent O(5)Li3Mn2Co octahedra, edges with two equivalent O(3)Li3MnCo2 octahedra, edges with two equivalent O(9)Li3MnCo2 octahedra, and edges with two equivalent O(2)Li4Co2 octahedra. The corner-sharing octahedral tilt angles range from 2-7°. In the thirteenth O site, O(13) is bonded to one Li(5), two equivalent Li(3), one Co(3), and two equivalent Co(4) atoms to form OLi3Co3 octahedra that share  a cornercorner with one O(8)Li3Co3 octahedra,  a cornercorner with one O(5)Li3Mn2Co octahedra, corners with four equivalent O(6)Li3Co3 octahedra, edges with two equivalent O(10)Li3Co3 octahedra, edges with two equivalent O(11)Li3Co3 octahedra, edges with two equivalent O(13)Li3Co3 octahedra, edges with two equivalent O(6)Li3Co3 octahedra, edges with two equivalent O(7)Li3Co3 octahedra, and edges with two equivalent O(3)Li3MnCo2 octahedra. The corner-sharing octahedral tilt angles range from 0-2°. In the fourteenth O site, O(14) is bonded to one Li(6), two equivalent Li(7), one Mn(1), and two equivalent Co(5) atoms to form OLi3MnCo2 octahedra that share  a cornercorner with one O(6)Li3Co3 octahedra,  a cornercorner with one O(4)Li5Mn octahedra, corners with four equivalent O(8)Li3Co3 octahedra, edges with two equivalent O(11)Li3Co3 octahedra, edges with two equivalent O(7)Li3Co3 octahedra, edges with two equivalent O(8)Li3Co3 octahedra, edges with two equivalent O(1)Li3Mn2Co octahedra, edges with two equivalent O(14)Li3MnCo2 octahedra, and edges with two equivalent O(15)Li4Mn2 octahedra. The corner-sharing octahedral tilt angles range from 1-4°. In the fifteenth O site, O(15) is bonded to one Li(7), one Li(9), two equivalent Li(8), and two equivalent Mn(1) atoms to form OLi4Mn2 octahedra that share  a cornercorner with one O(7)Li3Co3 octahedra,  a cornercorner with one O(2)Li4Co2 octahedra, corners with four equivalent O(1)Li3Mn2Co octahedra, edges with two equivalent O(8)Li3Co3 octahedra, edges with two equivalent O(1)Li3Mn2Co octahedra, edges with two equivalent O(14)Li3MnCo2 octahedra, edges with two equivalent O(15)Li4Mn2 octahedra, edges with two equivalent O(16)Li5Co octahedra, and edges with two equivalent O(4)Li5Mn octahedra. The corner-sharing octahedral tilt angles range from 0-10°. In the sixteenth O site, O(16) is bonded to one Li(8), two equivalent Li(1), two equivalent Li(9), and one Co(1) atom to form OLi5Co octahedra that share  a cornercorner with one O(8)Li3Co3 octahedra,  a cornercorner with one O(5)Li3Mn2Co octahedra, corners with four equivalent O(4)Li5Mn octahedra, edges with two equivalent O(1)Li3Mn2Co octahedra, edges with two equivalent O(9)Li3MnCo2 octahedra, edges with two equivalent O(2)Li4Co2 octahedra, edges with two equivalent O(15)Li4Mn2 octahedra, edges with two equivalent O(16)Li5Co octahedra, and edges with two equivalent O(4)Li5Mn octahedra. The corner-sharing octahedral tilt angles range from 2-9°.
Li9Mn2Co5O16 is Caswellsilverite-derived structured and crystallizes in the monoclinic Pm space group. There are nine inequivalent Li sites. In the first Li site, Li(1) is bonded to one O(1), one O(9), two equivalent O(16), and two equivalent O(4) atoms to form LiO6 octahedra that share  a cornercorner with one Mn(2)O6 octahedra,  a cornercorner with one Co(5)O6 octahedra, corners with four equivalent Li(9)O6 octahedra, edges with two equivalent Li(1)O6 octahedra, edges with two equivalent Li(4)O6 octahedra, edges with two equivalent Li(8)O6 octahedra, edges with two equivalent Li(9)O6 octahedra, and edges with two equivalent Mn(1)O6 octahedra. The corner-sharing octahedral tilt angles range from 5-10°. The Li(1)-O(1) bond length is 2.11 Å. The Li(1)-O(9) bond length is 2.29 Å. Both Li(1)-O(16) bond lengths are 2.07 Å. Both Li(1)-O(4) bond lengths are 2.05 Å. In the second Li site, Li(2) is bonded to one O(10), one O(2), two equivalent O(12), and two equivalent O(5) atoms to form LiO6 octahedra that share  a cornercorner with one Li(9)O6 octahedra,  a cornercorner with one Co(4)O6 octahedra, corners with four equivalent Mn(2)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 Mn(2)O6 octahedra, and edges with two equivalent Co(2)O6 octahedra. The corner-sharing octahedral tilt angles range from 3-7°. The Li(2)-O(10) bond length is 2.15 Å. The Li(2)-O(2) bond length is 2.00 Å. Both Li(2)-O(12) bond lengths are 2.21 Å. Both Li(2)-O(5) bond lengths are 2.17 Å. In the third Li site, Li(3) is bonded to one O(11), one O(3), two equivalent O(13), and two equivalent O(6) atoms to form LiO6 octahedra that share  a cornercorner with one Mn(2)O6 octahedra,  a cornercorner with one Co(5)O6 octahedra, corners with four equivalent Co(4)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, 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 4-7°. The Li(3)-O(11) bond length is 2.11 Å. The Li(3)-O(3) bond length is 2.23 Å. Both Li(3)-O(13) bond lengths are 2.18 Å. Both Li(3)-O(6) bond lengths are 2.18 Å. In the fourth Li site, Li(4) is bonded to one O(12), one O(4), two equivalent O(2), and two equivalent O(9) atoms to form LiO6 octahedra that share  a cornercorner with one Mn(1)O6 octahedra,  a cornercorner 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 Li(9)O6 octahedra, and edges with two equivalent Mn(2)O6 octahedra. The corner-sharing octahedral tilt angles range from 2-12°. The Li(4)-O(12) bond length is 2.27 Å. The Li(4)-O(4) bond length is 2.13 Å. Both Li(4)-O(2) bond lengths are 2.11 Å. Both Li(4)-O(9) bond lengths are 2.19 Å. In the fifth Li site, Li(5) is bonded to one O(13), one O(5), two equivalent O(10), and two equivalent O(3) atoms to form LiO6 octahedra that share  a cornercorner with one Co(3)O6 octahedra, corners with four equivalent Co(2)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 Mn(2)O6 octahedra, edges with two equivalent Co(2)O6 octahedra, and edges with two equivalent Co(4)O6 octahedra. The corner-sharing octahedral tilt angles range from 2-8°. The Li(5)-O(13) bond length is 2.17 Å. The Li(5)-O(5) bond length is 2.09 Å. Both Li(5)-O(10) bond lengths are 2.08 Å. Both Li(5)-O(3) bond lengths are 2.14 Å. In the sixth Li site, Li(6) is bonded to one O(14), one O(6), two equivalent O(11), and two equivalent O(7) atoms to form LiO6 octahedra that share  a cornercorner with one Mn(1)O6 octahedra,  a cornercorner with one Co(2)O6 octahedra, corners with four equivalent Co(3)O6 octahedra, edges with two equivalent Li(3)O6 octahedra, edges with two equivalent Li(6)O6 octahedra, edges with two equivalent Li(7)O6 octahedra, edges with two equivalent Co(3)O6 octahedra, edges with two equivalent Co(4)O6 octahedra, and edges with two equivalent Co(5)O6 octahedra. The corner-sharing octahedral tilt angles range from 3-7°. The Li(6)-O(14) bond length is 2.23 Å. The Li(6)-O(6) bond length is 2.15 Å. Both Li(6)-O(11) bond lengths are 2.13 Å. Both Li(6)-O(7) bond lengths are 2.13 Å. In the seventh Li site, Li(7) is bonded to one O(15), one O(7), two equivalent O(14), and two equivalent O(8) atoms to form LiO6 octahedra that share  a cornercorner with one Li(9)O6 octahedra,  a cornercorner with one Co(4)O6 octahedra, corners with four equivalent Co(5)O6 octahedra, edges with two equivalent Li(6)O6 octahedra, edges with two equivalent Li(7)O6 octahedra, edges with two equivalent Li(8)O6 octahedra, edges with two equivalent Mn(1)O6 octahedra, edges with two equivalent Co(3)O6 octahedra, and edges with two equivalent Co(5)O6 octahedra. The corner-sharing octahedral tilt angles range from 5-8°. The Li(7)-O(15) bond length is 2.06 Å. The Li(7)-O(7) bond length is 2.09 Å. Both Li(7)-O(14) bond lengths are 2.14 Å. Both Li(7)-O(8) bond lengths are 2.14 Å. In the eighth Li site, Li(8) is bonded to one O(16), one O(8), two equivalent O(1), and two equivalent O(15) atoms to form LiO6 octahedra that share  a cornercorner with one Co(3)O6 octahedra, corners with four equivalent Mn(1)O6 octahedra, edges with two equivalent Li(1)O6 octahedra, edges with two equivalent Li(7)O6 octahedra, edges with two equivalent Li(8)O6 octahedra, edges with two equivalent Li(9)O6 octahedra, edges with two equivalent Mn(1)O6 octahedra, and edges with two equivalent Co(5)O6 octahedra. The corner-sharing octahedral tilt angles range from 7-11°. The Li(8)-O(16) bond length is 2.02 Å. The Li(8)-O(8) bond length is 2.29 Å. Both Li(8)-O(1) bond lengths are 2.20 Å. Both Li(8)-O(15) bond lengths are 2.17 Å. In the ninth Li site, Li(9) is bonded to one O(15), one O(2), two equivalent O(16), and two equivalent O(4) atoms to form LiO6 octahedra that share  a cornercorner with one Li(2)O6 octahedra,  a cornercorner with one Li(7)O6 octahedra, corners with four equivalent Li(1)O6 octahedra, edges with two equivalent Li(1)O6 octahedra, edges with two equivalent Li(4)O6 octahedra, edges with two equivalent Li(8)O6 octahedra, edges with two equivalent Li(9)O6 octahedra, and edges with two equivalent Mn(1)O6 octahedra. The corner-sharing octahedral tilt angles range from 5-10°. The Li(9)-O(15) bond length is 2.12 Å. The Li(9)-O(2) bond length is 2.13 Å. Both Li(9)-O(16) bond lengths are 2.11 Å. Both Li(9)-O(4) bond lengths are 2.04 Å. There are two inequivalent Mn sites. In the first Mn site, Mn(1) is bonded to one O(14), one O(4), two equivalent O(1), and two equivalent O(15) atoms to form MnO6 octahedra that share  a cornercorner with one Li(4)O6 octahedra,  a cornercorner with one Li(6)O6 octahedra, corners with four equivalent Li(8)O6 octahedra, edges with two equivalent Li(1)O6 octahedra, edges with two equivalent Li(7)O6 octahedra, edges with two equivalent Li(8)O6 octahedra, edges with two equivalent Li(9)O6 octahedra, edges with two equivalent Mn(1)O6 octahedra, and edges with two equivalent Co(5)O6 octahedra. The corner-sharing octahedral tilt angles range from 2-11°. The Mn(1)-O(14) bond length is 2.07 Å. The Mn(1)-O(4) bond length is 1.82 Å. Both Mn(1)-O(1) bond lengths are 1.98 Å. Both Mn(1)-O(15) bond lengths are 1.93 Å. In the second Mn site, Mn(2) is bonded to one O(3), one O(9), two equivalent O(12), and two equivalent O(5) atoms to form MnO6 octahedra that share  a cornercorner with one Li(1)O6 octahedra,  a cornercorner with one Li(3)O6 octahedra, corners with four equivalent Li(2)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 Mn(2)O6 octahedra, and edges with two equivalent Co(2)O6 octahedra. The corner-sharing octahedral tilt angles range from 4-7°. The Mn(2)-O(3) bond length is 2.00 Å. The Mn(2)-O(9) bond length is 1.91 Å. Both Mn(2)-O(12) bond lengths are 1.96 Å. Both Mn(2)-O(5) bond lengths are 1.93 Å. There are five inequivalent Co sites. In the first Co site, Co(1) is bonded in a 6-coordinate geometry to one O(16), one O(5), two equivalent O(2), and two equivalent O(9) atoms. The Co(1)-O(16) bond length is 1.78 Å. The Co(1)-O(5) bond length is 2.36 Å. Both Co(1)-O(2) bond lengths are 1.96 Å. Both Co(1)-O(9) bond lengths are 2.08 Å. In the second Co site, Co(2) is bonded to one O(12), one O(6), two equivalent O(10), and two equivalent O(3) atoms to form CoO6 octahedra that share  a cornercorner with one Li(4)O6 octahedra,  a cornercorner with one Li(6)O6 octahedra, corners with four equivalent Li(5)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 Mn(2)O6 octahedra, edges with two equivalent Co(2)O6 octahedra, and edges with two equivalent Co(4)O6 octahedra. The corner-sharing octahedral tilt angles range from 2-12°. The Co(2)-O(12) bond length is 2.09 Å. The Co(2)-O(6) bond length is 2.07 Å. Both Co(2)-O(10) bond lengths are 2.00 Å. Both Co(2)-O(3) bond lengths are 2.05 Å. In the third Co site, Co(3) is bonded to one O(13), one O(8), two equivalent O(11), and two equivalent O(7) atoms to form CoO6 octahedra that share  a cornercorner with one Li(5)O6 octahedra,  a cornercorner with one Li(8)O6 octahedra, corners with four equivalent Li(6)O6 octahedra, edges with two equivalent Li(3)O6 octahedra, edges with two equivalent Li(6)O6 octahedra, edges with two equivalent Li(7)O6 octahedra, edges with two equivalent Co(3)O6 octahedra, edges with two equivalent Co(4)O6 octahedra, and edges with two equivalent Co(5)O6 octahedra. The corner-sharing octahedral tilt angles range from 3-8°. The Co(3)-O(13) bond length is 2.08 Å. The Co(3)-O(8) bond length is 2.04 Å. Both Co(3)-O(11) bond lengths are 2.02 Å. Both Co(3)-O(7) bond lengths are 1.98 Å. In the fourth Co site, Co(4) is bonded to one O(10), one O(7), two equivalent O(13), and two equivalent O(6) atoms to form CoO6 octahedra that share  a cornercorner with one Li(2)O6 octahedra,  a cornercorner with one Li(7)O6 octahedra, corners with four equivalent Li(3)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, 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(4)-O(10) bond length is 2.11 Å. The Co(4)-O(7) bond length is 2.14 Å. Both Co(4)-O(13) bond lengths are 1.95 Å. Both Co(4)-O(6) bond lengths are 1.95 Å. In the fifth Co site, Co(5) is bonded to one O(1), one O(11), two equivalent O(14), and two equivalent O(8) atoms to form CoO6 octahedra that share  a cornercorner with one Li(1)O6 octahedra,  a cornercorner with one Li(3)O6 octahedra, corners with four equivalent Li(7)O6 octahedra, edges with two equivalent Li(6)O6 octahedra, edges with two equivalent Li(7)O6 octahedra, edges with two equivalent Li(8)O6 octahedra, edges with two equivalent Mn(1)O6 octahedra, edges with two equivalent Co(3)O6 octahedra, and edges with two equivalent Co(5)O6 octahedra. The corner-sharing octahedral tilt angles range from 4-7°. The Co(5)-O(1) bond length is 2.07 Å. The Co(5)-O(11) bond length is 2.09 Å. Both Co(5)-O(14) bond lengths are 1.99 Å. Both Co(5)-O(8) bond lengths are 1.99 Å. There are sixteen inequivalent O sites. In the first O site, O(1) is bonded to one Li(1), two equivalent Li(8), two equivalent Mn(1), and one Co(5) atom to form OLi3Mn2Co octahedra that share  a cornercorner with one O(11)Li3Co3 octahedra,  a cornercorner with one O(9)Li3MnCo2 octahedra, corners with four equivalent O(15)Li4Mn2 octahedra, edges with two equivalent O(8)Li3Co3 octahedra, edges with two equivalent O(1)Li3Mn2Co octahedra, edges with two equivalent O(14)Li3MnCo2 octahedra, edges with two equivalent O(15)Li4Mn2 octahedra, edges with two equivalent O(16)Li5Co octahedra, and edges with two equivalent O(4)Li5Mn octahedra. The corner-sharing octahedral tilt angles range from 1-10°. In the second O site, O(2) is bonded to one Li(2), one Li(9), two equivalent Li(4), and two equivalent Co(1) atoms to form OLi4Co2 octahedra that share  a cornercorner with one O(10)Li3Co3 octahedra,  a cornercorner with one O(15)Li4Mn2 octahedra, corners with four equivalent O(9)Li3MnCo2 octahedra, edges with two equivalent O(12)Li3Mn2Co octahedra, edges with two equivalent O(5)Li3Mn2Co octahedra, edges with two equivalent O(9)Li3MnCo2 octahedra, edges with two equivalent O(2)Li4Co2 octahedra, edges with two equivalent O(16)Li5Co octahedra, and edges with two equivalent O(4)Li5Mn octahedra. The corner-sharing octahedral tilt angles range from 0-20°. In the third O site, O(3) is bonded to one Li(3), two equivalent Li(5), one Mn(2), and two equivalent Co(2) atoms to form OLi3MnCo2 octahedra that share  a cornercorner with one O(11)Li3Co3 octahedra,  a cornercorner with one O(9)Li3MnCo2 octahedra, corners with four equivalent O(10)Li3Co3 octahedra, edges with two equivalent O(10)Li3Co3 octahedra, edges with two equivalent O(13)Li3Co3 octahedra, edges with two equivalent O(6)Li3Co3 octahedra, edges with two equivalent O(12)Li3Mn2Co octahedra, edges with two equivalent O(5)Li3Mn2Co octahedra, and edges with two equivalent O(3)Li3MnCo2 octahedra. The corner-sharing octahedral tilt angles range from 0-4°. In the fourth O site, O(4) is bonded to one Li(4), two equivalent Li(1), two equivalent Li(9), and one Mn(1) atom to form OLi5Mn octahedra that share  a cornercorner with one O(12)Li3Mn2Co octahedra,  a cornercorner with one O(14)Li3MnCo2 octahedra, corners with four equivalent O(16)Li5Co octahedra, edges with two equivalent O(1)Li3Mn2Co octahedra, edges with two equivalent O(9)Li3MnCo2 octahedra, edges with two equivalent O(2)Li4Co2 octahedra, edges with two equivalent O(15)Li4Mn2 octahedra, edges with two equivalent O(16)Li5Co octahedra, and edges with two equivalent O(4)Li5Mn octahedra. The corner-sharing octahedral tilt angles range from 2-7°. In the fifth O site, O(5) is bonded to one Li(5), two equivalent Li(2), two equivalent Mn(2), and one Co(1) atom to form distorted OLi3Mn2Co octahedra that share  a cornercorner with one O(13)Li3Co3 octahedra,  a cornercorner with one O(16)Li5Co octahedra, corners with four equivalent O(12)Li3Mn2Co octahedra, edges with two equivalent O(10)Li3Co3 octahedra, edges with two equivalent O(12)Li3Mn2Co octahedra, edges with two equivalent O(5)Li3Mn2Co octahedra, edges with two equivalent O(3)Li3MnCo2 octahedra, edges with two equivalent O(9)Li3MnCo2 octahedra, and edges with two equivalent O(2)Li4Co2 octahedra. The corner-sharing octahedral tilt angles range from 2-9°. In the sixth O site, O(6) is bonded to one Li(6), two equivalent Li(3), one Co(2), and two equivalent Co(4) atoms to form OLi3Co3 octahedra that share  a cornercorner with one O(12)Li3Mn2Co octahedra,  a cornercorner with one O(14)Li3MnCo2 octahedra, corners with four equivalent O(13)Li3Co3 octahedra, edges with two equivalent O(10)Li3Co3 octahedra, edges with two equivalent O(11)Li3Co3 octahedra, edges with two equivalent O(13)Li3Co3 octahedra, edges with two equivalent O(6)Li3Co3 octahedra, edges with two equivalent O(7)Li3Co3 octahedra, and edges with two equivalent O(3)Li3MnCo2 octahedra. The corner-sharing octahedral tilt angles range from 0-3°. In the seventh O site, O(7) is bonded to one Li(7), two equivalent Li(6), one Co(4), and two equivalent Co(3) atoms to form OLi3Co3 octahedra that share  a cornercorner with one O(10)Li3Co3 octahedra,  a cornercorner with one O(15)Li4Mn2 octahedra, corners with four equivalent O(11)Li3Co3 octahedra, edges with two equivalent O(11)Li3Co3 octahedra, edges with two equivalent O(13)Li3Co3 octahedra, edges with two equivalent O(6)Li3Co3 octahedra, edges with two equivalent O(7)Li3Co3 octahedra, edges with two equivalent O(8)Li3Co3 octahedra, and edges with two equivalent O(14)Li3MnCo2 octahedra. The corner-sharing octahedral tilt angles range from 1-2°. In the eighth O site, O(8) is bonded to one Li(8), two equivalent Li(7), one Co(3), and two equivalent Co(5) atoms to form OLi3Co3 octahedra that share  a cornercorner with one O(13)Li3Co3 octahedra,  a cornercorner with one O(16)Li5Co octahedra, corners with four equivalent O(14)Li3MnCo2 octahedra, edges with two equivalent O(11)Li3Co3 octahedra, edges with two equivalent O(7)Li3Co3 octahedra, edges with two equivalent O(8)Li3Co3 octahedra, edges with two equivalent O(1)Li3Mn2Co octahedra, edges with two equivalent O(14)Li3MnCo2 octahedra, and edges with two equivalent O(15)Li4Mn2 octahedra. The corner-sharing octahedral tilt angles range from 1-5°. In the ninth O site, O(9) is bonded to one Li(1), two equivalent Li(4), one Mn(2), and two equivalent Co(1) atoms to form distorted OLi3MnCo2 octahedra that share  a cornercorner with one O(1)Li3Mn2Co octahedra,  a cornercorner with one O(3)Li3MnCo2 octahedra, corners with four equivalent O(2)Li4Co2 octahedra, edges with two equivalent O(12)Li3Mn2Co octahedra, edges with two equivalent O(5)Li3Mn2Co octahedra, edges with two equivalent O(9)Li3MnCo2 octahedra, edges with two equivalent O(2)Li4Co2 octahedra, edges with two equivalent O(16)Li5Co octahedra, and edges with two equivalent O(4)Li5Mn octahedra. The corner-sharing octahedral tilt angles range from 0-20°. In the tenth O site, O(10) is bonded to one Li(2), two equivalent Li(5), one Co(4), and two equivalent Co(2) atoms to form OLi3Co3 octahedra that share  a cornercorner with one O(7)Li3Co3 octahedra,  a cornercorner with one O(2)Li4Co2 octahedra, corners with four equivalent O(3)Li3MnCo2 octahedra, edges with two equivalent O(10)Li3Co3 octahedra, edges with two equivalent O(13)Li3Co3 octahedra, edges with two equivalent O(6)Li3Co3 octahedra, edges with two equivalent O(12)Li3Mn2Co octahedra, edges with two equivalent O(5)Li3Mn2Co octahedra, and edges with two equivalent O(3)Li3MnCo2 octahedra. The corner-sharing octahedral tilt angles range from 1-4°. In the eleventh O site, O(11) is bonded to one Li(3), two equivalent Li(6), one Co(5), and two equivalent Co(3) atoms to form OLi3Co3 octahedra that share  a cornercorner with one O(1)Li3Mn2Co octahedra,  a cornercorner with one O(3)Li3MnCo2 octahedra, corners with four equivalent O(7)Li3Co3 octahedra, edges with two equivalent O(11)Li3Co3 octahedra, edges with two equivalent O(13)Li3Co3 octahedra, edges with two equivalent O(6)Li3Co3 octahedra, edges with two equivalent O(7)Li3Co3 octahedra, edges with two equivalent O(8)Li3Co3 octahedra, and edges with two equivalent O(14)Li3MnCo2 octahedra. The corner-sharing octahedral tilt angles range from 0-2°. In the twelfth O site, O(12) is bonded to one Li(4), two equivalent Li(2), two equivalent Mn(2), and one Co(2) atom to form OLi3Mn2Co octahedra that share  a cornercorner with one O(6)Li3Co3 octahedra,  a cornercorner with one O(4)Li5Mn octahedra, corners with four equivalent O(5)Li3Mn2Co octahedra, edges with two equivalent O(10)Li3Co3 octahedra, edges with two equivalent O(12)Li3Mn2Co octahedra, edges with two equivalent O(5)Li3Mn2Co octahedra, edges with two equivalent O(3)Li3MnCo2 octahedra, edges with two equivalent O(9)Li3MnCo2 octahedra, and edges with two equivalent O(2)Li4Co2 octahedra. The corner-sharing octahedral tilt angles range from 2-7°. In the thirteenth O site, O(13) is bonded to one Li(5), two equivalent Li(3), one Co(3), and two equivalent Co(4) atoms to form OLi3Co3 octahedra that share  a cornercorner with one O(8)Li3Co3 octahedra,  a cornercorner with one O(5)Li3Mn2Co octahedra, corners with four equivalent O(6)Li3Co3 octahedra, edges with two equivalent O(10)Li3Co3 octahedra, edges with two equivalent O(11)Li3Co3 octahedra, edges with two equivalent O(13)Li3Co3 octahedra, edges with two equivalent O(6)Li3Co3 octahedra, edges with two equivalent O(7)Li3Co3 octahedra, and edges with two equivalent O(3)Li3MnCo2 octahedra. The corner-sharing octahedral tilt angles range from 0-2°. In the fourteenth O site, O(14) is bonded to one Li(6), two equivalent Li(7), one Mn(1), and two equivalent Co(5) atoms to form OLi3MnCo2 octahedra that share  a cornercorner with one O(6)Li3Co3 octahedra,  a cornercorner with one O(4)Li5Mn octahedra, corners with four equivalent O(8)Li3Co3 octahedra, edges with two equivalent O(11)Li3Co3 octahedra, edges with two equivalent O(7)Li3Co3 octahedra, edges with two equivalent O(8)Li3Co3 octahedra, edges with two equivalent O(1)Li3Mn2Co octahedra, edges with two equivalent O(14)Li3MnCo2 octahedra, and edges with two equivalent O(15)Li4Mn2 octahedra. The corner-sharing octahedral tilt angles range from 1-4°. In the fifteenth O site, O(15) is bonded to one Li(7), one Li(9), two equivalent Li(8), and two equivalent Mn(1) atoms to form OLi4Mn2 octahedra that share  a cornercorner with one O(7)Li3Co3 octahedra,  a cornercorner with one O(2)Li4Co2 octahedra, corners with four equivalent O(1)Li3Mn2Co octahedra, edges with two equivalent O(8)Li3Co3 octahedra, edges with two equivalent O(1)Li3Mn2Co octahedra, edges with two equivalent O(14)Li3MnCo2 octahedra, edges with two equivalent O(15)Li4Mn2 octahedra, edges with two equivalent O(16)Li5Co octahedra, and edges with two equivalent O(4)Li5Mn octahedra. The corner-sharing octahedral tilt angles range from 0-10°. In the sixteenth O site, O(16) is bonded to one Li(8), two equivalent Li(1), two equivalent Li(9), and one Co(1) atom to form OLi5Co octahedra that share  a cornercorner with one O(8)Li3Co3 octahedra,  a cornercorner with one O(5)Li3Mn2Co octahedra, corners with four equivalent O(4)Li5Mn octahedra, edges with two equivalent O(1)Li3Mn2Co octahedra, edges with two equivalent O(9)Li3MnCo2 octahedra, edges with two equivalent O(2)Li4Co2 octahedra, edges with two equivalent O(15)Li4Mn2 octahedra, edges with two equivalent O(16)Li5Co octahedra, and edges with two equivalent O(4)Li5Mn octahedra. The corner-sharing octahedral tilt angles range from 2-9°.