Li4MnCo2O7 is Caswellsilverite-derived structured and crystallizes in the triclinic P1 space group. There are eight inequivalent Li sites. In the first Li site, Li(1) is bonded to one O(4), one O(9), two equivalent O(1), and two equivalent O(8) atoms to form LiO6 octahedra that share  a cornercorner with one Co(1)O6 octahedra,  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(2)O6 octahedra, edges with two equivalent Li(4)O6 octahedra, edges with two equivalent Li(8)O6 octahedra, edges with two equivalent Mn(1)O6 octahedra, and edges with two equivalent Co(4)O6 octahedra. The corner-sharing octahedral tilt angles range from 4-12°. In the second Li site, Li(2) is bonded to one O(1), one O(10), two equivalent O(2), and two equivalent O(9) atoms to form LiO6 octahedra that share  a cornercorner with one Co(2)O6 octahedra,  a cornercorner with one Co(4)O6 octahedra, corners with four equivalent Li(8)O6 octahedra, edges with two equivalent Li(1)O6 octahedra, edges with two equivalent Li(2)O6 octahedra, edges with two equivalent Li(3)O6 octahedra, edges with two equivalent Li(8)O6 octahedra, edges with two equivalent Mn(1)O6 octahedra, and edges with two equivalent Co(1)O6 octahedra. The corner-sharing octahedral tilt angles range from 7-11°. In the third Li site, Li(3) is bonded to one O(14), one O(2), two equivalent O(10), and two equivalent O(3) atoms to form LiO6 octahedra that share  a cornercorner with one Mn(1)O6 octahedra,  a cornercorner with one Mn(2)O6 octahedra, corners with four equivalent Co(1)O6 octahedra, edges with two equivalent Li(2)O6 octahedra, edges with two equivalent Li(3)O6 octahedra, edges with two equivalent Li(7)O6 octahedra, edges with two equivalent Li(8)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 4-11°. In the fourth Li site, Li(4) is bonded to one O(5), one O(8), two equivalent O(11), and two equivalent O(4) atoms to form LiO6 octahedra that share  a cornercorner with one Li(8)O6 octahedra,  a cornercorner with one Mn(2)O6 octahedra, corners with four equivalent Co(4)O6 octahedra, edges with two equivalent Li(1)O6 octahedra, edges with two equivalent Li(4)O6 octahedra, edges with two equivalent Li(5)O6 octahedra, edges with two equivalent Mn(1)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 3-9°. In the fifth Li site, Li(5) is bonded to one O(11), one O(6), two equivalent O(12), and two equivalent O(5) 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(4)O6 octahedra, edges with two equivalent Li(5)O6 octahedra, edges with two equivalent Li(6)O6 octahedra, edges with two equivalent Mn(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 sixth Li site, Li(6) is bonded to one O(12), one O(7), two equivalent O(13), and two equivalent O(6) atoms to form LiO6 octahedra that share  a cornercorner with one Co(1)O6 octahedra,  a cornercorner with one Co(4)O6 octahedra, corners with four equivalent Mn(2)O6 octahedra, edges with two equivalent Li(5)O6 octahedra, edges with two equivalent Li(6)O6 octahedra, edges with two equivalent Li(7)O6 octahedra, edges with two equivalent Mn(2)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 6-7°. In the seventh Li site, Li(7) is bonded to one O(13), one O(3), two equivalent O(14), and two equivalent O(7) atoms to form LiO6 octahedra that share  a cornercorner with one Li(8)O6 octahedra,  a cornercorner with one Co(3)O6 octahedra, corners with four equivalent Co(2)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 Mn(2)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 5-9°. In the eighth Li site, Li(8) is bonded to one O(3), one O(8), two equivalent O(2), and two equivalent O(9) atoms to form LiO6 octahedra that share  a cornercorner with one Li(4)O6 octahedra,  a cornercorner with one Li(7)O6 octahedra, corners with four equivalent Li(2)O6 octahedra, edges with two equivalent Li(1)O6 octahedra, edges with two equivalent Li(2)O6 octahedra, edges with two equivalent Li(3)O6 octahedra, edges with two equivalent Li(8)O6 octahedra, edges with two equivalent Mn(1)O6 octahedra, and edges with two equivalent Co(1)O6 octahedra. The corner-sharing octahedral tilt angles range from 7-11°. There are two inequivalent Mn sites. In the first Mn site, Mn(1) is bonded to one O(11), one O(2), two equivalent O(1), and two equivalent O(8) atoms to form MnO6 octahedra that share  a cornercorner with one Li(3)O6 octahedra,  a cornercorner with one 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(2)O6 octahedra, edges with two equivalent Li(4)O6 octahedra, edges with two equivalent Li(8)O6 octahedra, edges with two equivalent Mn(1)O6 octahedra, and edges with two equivalent Co(4)O6 octahedra. The corner-sharing octahedral tilt angles range from 4-12°. In the second Mn site, Mn(2) is bonded to one O(14), one O(5), two equivalent O(13), and two equivalent O(6) atoms to form MnO6 octahedra that share  a cornercorner with one Li(3)O6 octahedra,  a cornercorner with one Li(4)O6 octahedra, corners with four equivalent Li(6)O6 octahedra, edges with two equivalent Li(5)O6 octahedra, edges with two equivalent Li(6)O6 octahedra, edges with two equivalent Li(7)O6 octahedra, edges with two equivalent Mn(2)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 6-7°. There are four inequivalent Co sites. In the first Co site, Co(1) is bonded to one O(7), one O(9), two equivalent O(10), and two equivalent O(3) atoms to form distorted CoO6 octahedra that share  a cornercorner with one Li(1)O6 octahedra,  a cornercorner with one Li(6)O6 octahedra, corners with four equivalent Li(3)O6 octahedra, edges with two equivalent Li(2)O6 octahedra, edges with two equivalent Li(3)O6 octahedra, edges with two equivalent Li(7)O6 octahedra, edges with two equivalent Li(8)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 4-11°. In the second Co site, Co(2) is bonded to one O(10), one O(6), two equivalent O(14), and two equivalent O(7) atoms to form CoO6 octahedra that share  a cornercorner with one Li(2)O6 octahedra,  a cornercorner with one Li(5)O6 octahedra, corners with four equivalent Li(7)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 Mn(2)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 5-9°. In the third Co site, Co(3) is bonded to one O(13), one O(4), two equivalent O(12), and two equivalent O(5) atoms to form CoO6 octahedra that share  a cornercorner with one Li(1)O6 octahedra,  a cornercorner with one Li(7)O6 octahedra, corners with four equivalent Li(5)O6 octahedra, edges with two equivalent Li(4)O6 octahedra, edges with two equivalent Li(5)O6 octahedra, edges with two equivalent Li(6)O6 octahedra, edges with two equivalent Mn(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 Co site, Co(4) is bonded to one O(1), one O(12), two equivalent O(11), and two equivalent O(4) atoms to form CoO6 octahedra that share  a cornercorner with one Li(2)O6 octahedra,  a cornercorner with one Li(6)O6 octahedra, corners with four equivalent Li(4)O6 octahedra, edges with two equivalent Li(1)O6 octahedra, edges with two equivalent Li(4)O6 octahedra, edges with two equivalent Li(5)O6 octahedra, edges with two equivalent Mn(1)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°. There are fourteen inequivalent O sites. In the first O site, O(1) is bonded to one Li(2), two equivalent Li(1), two equivalent Mn(1), and one Co(4) atom to form OLi3Mn2Co octahedra that share  a cornercorner with one O(10)Li3Co3 octahedra,  a cornercorner with one O(12)Li3Co3 octahedra, corners with four equivalent O(8)Li4Mn2 octahedra, edges with two equivalent O(4)Li3Co3 octahedra, edges with two equivalent O(1)Li3Mn2Co octahedra, edges with two equivalent O(11)Li3MnCo2 octahedra, edges with two equivalent O(8)Li4Mn2 octahedra, edges with two equivalent O(9)Li5Co octahedra, and edges with two equivalent O(2)Li5Mn octahedra. The corner-sharing octahedral tilt angles range from 3-7°. In the second O site, O(2) is bonded to one Li(3), two equivalent Li(2), two equivalent Li(8), and one Mn(1) atom to form OLi5Mn octahedra that share  a cornercorner with one O(11)Li3MnCo2 octahedra,  a cornercorner with one O(14)Li3MnCo2 octahedra, corners with four equivalent O(9)Li5Co octahedra, edges with two equivalent O(10)Li3Co3 octahedra, edges with two equivalent O(1)Li3Mn2Co octahedra, edges with two equivalent O(3)Li4Co2 octahedra, edges with two equivalent O(8)Li4Mn2 octahedra, edges with two equivalent O(9)Li5Co octahedra, and edges with two equivalent O(2)Li5Mn octahedra. The corner-sharing octahedral tilt angles range from 2-6°. In the third O site, O(3) is bonded to one Li(7), one Li(8), two equivalent Li(3), and two equivalent Co(1) atoms to form OLi4Co2 octahedra that share  a cornercorner with one O(13)Li3Mn2Co octahedra,  a cornercorner with one O(8)Li4Mn2 octahedra, corners with four equivalent O(10)Li3Co3 octahedra, edges with two equivalent O(10)Li3Co3 octahedra, edges with two equivalent O(7)Li3Co3 octahedra, edges with two equivalent O(14)Li3MnCo2 octahedra, edges with two equivalent O(3)Li4Co2 octahedra, edges with two equivalent O(9)Li5Co octahedra, and edges with two equivalent O(2)Li5Mn octahedra. The corner-sharing octahedral tilt angles range from 2-9°. In the fourth O site, O(4) is bonded to one Li(1), two equivalent Li(4), one Co(3), and two equivalent Co(4) atoms to form OLi3Co3 octahedra that share  a cornercorner with one O(13)Li3Mn2Co octahedra,  a cornercorner with one O(9)Li5Co octahedra, corners with four equivalent O(11)Li3MnCo2 octahedra, edges with two equivalent O(12)Li3Co3 octahedra, edges with two equivalent O(4)Li3Co3 octahedra, edges with two equivalent O(1)Li3Mn2Co octahedra, edges with two equivalent O(11)Li3MnCo2 octahedra, edges with two equivalent O(5)Li3MnCo2 octahedra, and edges with two equivalent O(8)Li4Mn2 octahedra. The corner-sharing octahedral tilt angles range from 1-5°. In the fifth O site, O(5) is bonded to one Li(4), two equivalent Li(5), one Mn(2), and two equivalent Co(3) atoms to form OLi3MnCo2 octahedra that share  a cornercorner with one O(14)Li3MnCo2 octahedra,  a cornercorner with one O(8)Li4Mn2 octahedra, corners with four equivalent O(12)Li3Co3 octahedra, edges with two equivalent O(12)Li3Co3 octahedra, edges with two equivalent O(4)Li3Co3 octahedra, edges with two equivalent O(13)Li3Mn2Co octahedra, edges with two equivalent O(6)Li3Mn2Co octahedra, edges with two equivalent O(11)Li3MnCo2 octahedra, and edges with two equivalent O(5)Li3MnCo2 octahedra. The corner-sharing octahedral tilt angles range from 0-5°. In the sixth O site, O(6) is bonded to one Li(5), two equivalent Li(6), two equivalent Mn(2), and one Co(2) atom to form OLi3Mn2Co octahedra that share  a cornercorner with one O(10)Li3Co3 octahedra,  a cornercorner with one O(11)Li3MnCo2 octahedra, corners with four equivalent O(13)Li3Mn2Co octahedra, edges with two equivalent O(12)Li3Co3 octahedra, edges with two equivalent O(7)Li3Co3 octahedra, edges with two equivalent O(13)Li3Mn2Co octahedra, edges with two equivalent O(6)Li3Mn2Co octahedra, edges with two equivalent O(14)Li3MnCo2 octahedra, and edges with two equivalent O(5)Li3MnCo2 octahedra. The corner-sharing octahedral tilt angles range from 0-2°. In the seventh O site, O(7) is bonded to one Li(6), two equivalent Li(7), one Co(1), and two equivalent Co(2) atoms to form OLi3Co3 octahedra that share  a cornercorner with one O(12)Li3Co3 octahedra,  a cornercorner with one O(9)Li5Co octahedra, corners with four equivalent O(14)Li3MnCo2 octahedra, edges with two equivalent O(10)Li3Co3 octahedra, edges with two equivalent O(7)Li3Co3 octahedra, edges with two equivalent O(13)Li3Mn2Co octahedra, edges with two equivalent O(6)Li3Mn2Co octahedra, edges with two equivalent O(14)Li3MnCo2 octahedra, and edges with two equivalent O(3)Li4Co2 octahedra. The corner-sharing octahedral tilt angles range from 0-7°. In the eighth O site, O(8) is bonded to one Li(4), one Li(8), two equivalent Li(1), and two equivalent Mn(1) atoms to form OLi4Mn2 octahedra that share  a cornercorner with one O(5)Li3MnCo2 octahedra,  a cornercorner with one O(3)Li4Co2 octahedra, corners with four equivalent O(1)Li3Mn2Co octahedra, edges with two equivalent O(4)Li3Co3 octahedra, edges with two equivalent O(1)Li3Mn2Co octahedra, edges with two equivalent O(11)Li3MnCo2 octahedra, edges with two equivalent O(8)Li4Mn2 octahedra, edges with two equivalent O(9)Li5Co octahedra, and edges with two equivalent O(2)Li5Mn octahedra. The corner-sharing octahedral tilt angles range from 3-7°. In the ninth O site, O(9) is bonded to one Li(1), two equivalent Li(2), two equivalent Li(8), and one Co(1) atom to form OLi5Co octahedra that share  a cornercorner with one O(4)Li3Co3 octahedra,  a cornercorner with one O(7)Li3Co3 octahedra, corners with four equivalent O(2)Li5Mn octahedra, edges with two equivalent O(10)Li3Co3 octahedra, edges with two equivalent O(1)Li3Mn2Co octahedra, edges with two equivalent O(3)Li4Co2 octahedra, edges with two equivalent O(8)Li4Mn2 octahedra, edges with two equivalent O(9)Li5Co octahedra, and edges with two equivalent O(2)Li5Mn octahedra. The corner-sharing octahedral tilt angles range from 2-7°. In the tenth O site, O(10) is bonded to one Li(2), two equivalent Li(3), one Co(2), and two equivalent Co(1) atoms to form OLi3Co3 octahedra that share  a cornercorner with one O(1)Li3Mn2Co octahedra,  a cornercorner with one O(6)Li3Mn2Co octahedra, corners with four equivalent O(3)Li4Co2 octahedra, edges with two equivalent O(10)Li3Co3 octahedra, edges with two equivalent O(7)Li3Co3 octahedra, edges with two equivalent O(14)Li3MnCo2 octahedra, edges with two equivalent O(3)Li4Co2 octahedra, edges with two equivalent O(9)Li5Co octahedra, and edges with two equivalent O(2)Li5Mn octahedra. The corner-sharing octahedral tilt angles range from 1-9°. In the eleventh O site, O(11) is bonded to one Li(5), two equivalent Li(4), one Mn(1), and two equivalent Co(4) atoms to form OLi3MnCo2 octahedra that share  a cornercorner with one O(6)Li3Mn2Co octahedra,  a cornercorner with one O(2)Li5Mn octahedra, corners with four equivalent O(4)Li3Co3 octahedra, edges with two equivalent O(12)Li3Co3 octahedra, edges with two equivalent O(4)Li3Co3 octahedra, edges with two equivalent O(1)Li3Mn2Co octahedra, edges with two equivalent O(11)Li3MnCo2 octahedra, edges with two equivalent O(5)Li3MnCo2 octahedra, and edges with two equivalent O(8)Li4Mn2 octahedra. The corner-sharing octahedral tilt angles range from 1-6°. In the twelfth O site, O(12) is bonded to one Li(6), two equivalent Li(5), one Co(4), and two equivalent Co(3) atoms to form OLi3Co3 octahedra that share  a cornercorner with one O(7)Li3Co3 octahedra,  a cornercorner with one O(1)Li3Mn2Co octahedra, corners with four equivalent O(5)Li3MnCo2 octahedra, edges with two equivalent O(12)Li3Co3 octahedra, edges with two equivalent O(4)Li3Co3 octahedra, edges with two equivalent O(13)Li3Mn2Co octahedra, edges with two equivalent O(6)Li3Mn2Co octahedra, edges with two equivalent O(11)Li3MnCo2 octahedra, and edges with two equivalent O(5)Li3MnCo2 octahedra. The corner-sharing octahedral tilt angles range from 0-3°. In the thirteenth O site, O(13) is bonded to one Li(7), two equivalent Li(6), two equivalent Mn(2), and one Co(3) atom to form OLi3Mn2Co octahedra that share  a cornercorner with one O(4)Li3Co3 octahedra,  a cornercorner with one O(3)Li4Co2 octahedra, corners with four equivalent O(6)Li3Mn2Co octahedra, edges with two equivalent O(12)Li3Co3 octahedra, edges with two equivalent O(7)Li3Co3 octahedra, edges with two equivalent O(13)Li3Mn2Co octahedra, edges with two equivalent O(6)Li3Mn2Co octahedra, edges with two equivalent O(14)Li3MnCo2 octahedra, and edges with two equivalent O(5)Li3MnCo2 octahedra. The corner-sharing octahedral tilt angles range from 0-2°. In the fourteenth O site, O(14) is bonded to one Li(3), two equivalent Li(7), one Mn(2), and two equivalent Co(2) atoms to form OLi3MnCo2 octahedra that share  a cornercorner with one O(5)Li3MnCo2 octahedra,  a cornercorner with one O(2)Li5Mn octahedra, corners with four equivalent O(7)Li3Co3 octahedra, edges with two equivalent O(10)Li3Co3 octahedra, edges with two equivalent O(7)Li3Co3 octahedra, edges with two equivalent O(13)Li3Mn2Co octahedra, edges with two equivalent O(6)Li3Mn2Co octahedra, edges with two equivalent O(14)Li3MnCo2 octahedra, and edges with two equivalent O(3)Li4Co2 octahedra. The corner-sharing octahedral tilt angles range from 0-5°.
Li4MnCo2O7 is Caswellsilverite-derived structured and crystallizes in the triclinic P1 space group. There are eight inequivalent Li sites. In the first Li site, Li(1) is bonded to one O(4), one O(9), two equivalent O(1), and two equivalent O(8) atoms to form LiO6 octahedra that share  a cornercorner with one Co(1)O6 octahedra,  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(2)O6 octahedra, edges with two equivalent Li(4)O6 octahedra, edges with two equivalent Li(8)O6 octahedra, edges with two equivalent Mn(1)O6 octahedra, and edges with two equivalent Co(4)O6 octahedra. The corner-sharing octahedral tilt angles range from 4-12°. The Li(1)-O(4) bond length is 2.16 Å. The Li(1)-O(9) bond length is 2.14 Å. There is one shorter (2.13 Å) and one longer (2.36 Å) Li(1)-O(1) bond length. There is one shorter (2.08 Å) and one longer (2.35 Å) Li(1)-O(8) bond length. In the second Li site, Li(2) is bonded to one O(1), one O(10), two equivalent O(2), and two equivalent O(9) atoms to form LiO6 octahedra that share  a cornercorner with one Co(2)O6 octahedra,  a cornercorner with one Co(4)O6 octahedra, corners with four equivalent Li(8)O6 octahedra, edges with two equivalent Li(1)O6 octahedra, edges with two equivalent Li(2)O6 octahedra, edges with two equivalent Li(3)O6 octahedra, edges with two equivalent Li(8)O6 octahedra, edges with two equivalent Mn(1)O6 octahedra, and edges with two equivalent Co(1)O6 octahedra. The corner-sharing octahedral tilt angles range from 7-11°. The Li(2)-O(1) bond length is 2.16 Å. The Li(2)-O(10) bond length is 2.07 Å. There is one shorter (2.01 Å) and one longer (2.12 Å) Li(2)-O(2) bond length. There is one shorter (2.05 Å) and one longer (2.20 Å) Li(2)-O(9) bond length. In the third Li site, Li(3) is bonded to one O(14), one O(2), two equivalent O(10), and two equivalent O(3) atoms to form LiO6 octahedra that share  a cornercorner with one Mn(1)O6 octahedra,  a cornercorner with one Mn(2)O6 octahedra, corners with four equivalent Co(1)O6 octahedra, edges with two equivalent Li(2)O6 octahedra, edges with two equivalent Li(3)O6 octahedra, edges with two equivalent Li(7)O6 octahedra, edges with two equivalent Li(8)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 4-11°. The Li(3)-O(14) bond length is 2.15 Å. The Li(3)-O(2) bond length is 2.09 Å. There is one shorter (2.17 Å) and one longer (2.22 Å) Li(3)-O(10) bond length. There is one shorter (2.14 Å) and one longer (2.20 Å) Li(3)-O(3) bond length. In the fourth Li site, Li(4) is bonded to one O(5), one O(8), two equivalent O(11), and two equivalent O(4) atoms to form LiO6 octahedra that share  a cornercorner with one Li(8)O6 octahedra,  a cornercorner with one Mn(2)O6 octahedra, corners with four equivalent Co(4)O6 octahedra, edges with two equivalent Li(1)O6 octahedra, edges with two equivalent Li(4)O6 octahedra, edges with two equivalent Li(5)O6 octahedra, edges with two equivalent Mn(1)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 3-9°. The Li(4)-O(5) bond length is 2.05 Å. The Li(4)-O(8) bond length is 2.05 Å. There is one shorter (2.15 Å) and one longer (2.18 Å) Li(4)-O(11) bond length. There is one shorter (2.14 Å) and one longer (2.20 Å) Li(4)-O(4) bond length. In the fifth Li site, Li(5) is bonded to one O(11), one O(6), two equivalent O(12), and two equivalent O(5) 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(4)O6 octahedra, edges with two equivalent Li(5)O6 octahedra, edges with two equivalent Li(6)O6 octahedra, edges with two equivalent Mn(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(5)-O(11) bond length is 2.09 Å. The Li(5)-O(6) bond length is 2.14 Å. There is one shorter (2.12 Å) and one longer (2.18 Å) Li(5)-O(12) bond length. There is one shorter (2.14 Å) and one longer (2.19 Å) Li(5)-O(5) bond length. In the sixth Li site, Li(6) is bonded to one O(12), one O(7), two equivalent O(13), and two equivalent O(6) atoms to form LiO6 octahedra that share  a cornercorner with one Co(1)O6 octahedra,  a cornercorner with one Co(4)O6 octahedra, corners with four equivalent Mn(2)O6 octahedra, edges with two equivalent Li(5)O6 octahedra, edges with two equivalent Li(6)O6 octahedra, edges with two equivalent Li(7)O6 octahedra, edges with two equivalent Mn(2)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 6-7°. The Li(6)-O(12) bond length is 2.13 Å. The Li(6)-O(7) bond length is 2.17 Å. There is one shorter (2.10 Å) and one longer (2.15 Å) Li(6)-O(13) bond length. There is one shorter (2.09 Å) and one longer (2.14 Å) Li(6)-O(6) bond length. In the seventh Li site, Li(7) is bonded to one O(13), one O(3), two equivalent O(14), and two equivalent O(7) atoms to form LiO6 octahedra that share  a cornercorner with one Li(8)O6 octahedra,  a cornercorner with one Co(3)O6 octahedra, corners with four equivalent Co(2)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 Mn(2)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 5-9°. The Li(7)-O(13) bond length is 2.16 Å. The Li(7)-O(3) bond length is 1.97 Å. There is one shorter (2.14 Å) and one longer (2.19 Å) Li(7)-O(14) bond length. There is one shorter (2.13 Å) and one longer (2.18 Å) Li(7)-O(7) bond length. In the eighth Li site, Li(8) is bonded to one O(3), one O(8), two equivalent O(2), and two equivalent O(9) atoms to form LiO6 octahedra that share  a cornercorner with one Li(4)O6 octahedra,  a cornercorner with one Li(7)O6 octahedra, corners with four equivalent Li(2)O6 octahedra, edges with two equivalent Li(1)O6 octahedra, edges with two equivalent Li(2)O6 octahedra, edges with two equivalent Li(3)O6 octahedra, edges with two equivalent Li(8)O6 octahedra, edges with two equivalent Mn(1)O6 octahedra, and edges with two equivalent Co(1)O6 octahedra. The corner-sharing octahedral tilt angles range from 7-11°. The Li(8)-O(3) bond length is 1.99 Å. The Li(8)-O(8) bond length is 2.08 Å. There is one shorter (2.01 Å) and one longer (2.17 Å) Li(8)-O(2) bond length. There is one shorter (2.07 Å) and one longer (2.26 Å) Li(8)-O(9) bond length. There are two inequivalent Mn sites. In the first Mn site, Mn(1) is bonded to one O(11), one O(2), two equivalent O(1), and two equivalent O(8) atoms to form MnO6 octahedra that share  a cornercorner with one Li(3)O6 octahedra,  a cornercorner with one 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(2)O6 octahedra, edges with two equivalent Li(4)O6 octahedra, edges with two equivalent Li(8)O6 octahedra, edges with two equivalent Mn(1)O6 octahedra, and edges with two equivalent Co(4)O6 octahedra. The corner-sharing octahedral tilt angles range from 4-12°. The Mn(1)-O(11) bond length is 2.01 Å. The Mn(1)-O(2) bond length is 1.82 Å. There is one shorter (1.99 Å) and one longer (2.05 Å) Mn(1)-O(1) bond length. There is one shorter (1.95 Å) and one longer (1.97 Å) Mn(1)-O(8) bond length. In the second Mn site, Mn(2) is bonded to one O(14), one O(5), two equivalent O(13), and two equivalent O(6) atoms to form MnO6 octahedra that share  a cornercorner with one Li(3)O6 octahedra,  a cornercorner with one Li(4)O6 octahedra, corners with four equivalent Li(6)O6 octahedra, edges with two equivalent Li(5)O6 octahedra, edges with two equivalent Li(6)O6 octahedra, edges with two equivalent Li(7)O6 octahedra, edges with two equivalent Mn(2)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 6-7°. The Mn(2)-O(14) bond length is 1.95 Å. The Mn(2)-O(5) bond length is 1.98 Å. There is one shorter (1.97 Å) and one longer (2.22 Å) Mn(2)-O(13) bond length. There is one shorter (1.96 Å) and one longer (2.23 Å) Mn(2)-O(6) bond length. There are four inequivalent Co sites. In the first Co site, Co(1) is bonded to one O(7), one O(9), two equivalent O(10), and two equivalent O(3) atoms to form distorted CoO6 octahedra that share  a cornercorner with one Li(1)O6 octahedra,  a cornercorner with one Li(6)O6 octahedra, corners with four equivalent Li(3)O6 octahedra, edges with two equivalent Li(2)O6 octahedra, edges with two equivalent Li(3)O6 octahedra, edges with two equivalent Li(7)O6 octahedra, edges with two equivalent Li(8)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 4-11°. The Co(1)-O(7) bond length is 1.96 Å. The Co(1)-O(9) bond length is 1.75 Å. There is one shorter (1.96 Å) and one longer (2.22 Å) Co(1)-O(10) bond length. There is one shorter (1.87 Å) and one longer (2.11 Å) Co(1)-O(3) bond length. In the second Co site, Co(2) is bonded to one O(10), one O(6), two equivalent O(14), and two equivalent O(7) atoms to form CoO6 octahedra that share  a cornercorner with one Li(2)O6 octahedra,  a cornercorner with one Li(5)O6 octahedra, corners with four equivalent Li(7)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 Mn(2)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 5-9°. The Co(2)-O(10) bond length is 1.89 Å. The Co(2)-O(6) bond length is 1.95 Å. There is one shorter (1.93 Å) and one longer (2.19 Å) Co(2)-O(14) bond length. There is one shorter (1.92 Å) and one longer (2.17 Å) Co(2)-O(7) bond length. In the third Co site, Co(3) is bonded to one O(13), one O(4), two equivalent O(12), and two equivalent O(5) atoms to form CoO6 octahedra that share  a cornercorner with one Li(1)O6 octahedra,  a cornercorner with one Li(7)O6 octahedra, corners with four equivalent Li(5)O6 octahedra, edges with two equivalent Li(4)O6 octahedra, edges with two equivalent Li(5)O6 octahedra, edges with two equivalent Li(6)O6 octahedra, edges with two equivalent Mn(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 Co(3)-O(13) bond length is 1.94 Å. The Co(3)-O(4) bond length is 1.94 Å. There is one shorter (1.92 Å) and one longer (2.17 Å) Co(3)-O(12) bond length. There is one shorter (1.93 Å) and one longer (2.20 Å) Co(3)-O(5) bond length. In the fourth Co site, Co(4) is bonded to one O(1), one O(12), two equivalent O(11), and two equivalent O(4) atoms to form CoO6 octahedra that share  a cornercorner with one Li(2)O6 octahedra,  a cornercorner with one Li(6)O6 octahedra, corners with four equivalent Li(4)O6 octahedra, edges with two equivalent Li(1)O6 octahedra, edges with two equivalent Li(4)O6 octahedra, edges with two equivalent Li(5)O6 octahedra, edges with two equivalent Mn(1)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 Co(4)-O(1) bond length is 1.95 Å. The Co(4)-O(12) bond length is 1.92 Å. There is one shorter (1.91 Å) and one longer (2.15 Å) Co(4)-O(11) bond length. There is one shorter (1.91 Å) and one longer (2.21 Å) Co(4)-O(4) bond length. There are fourteen inequivalent O sites. In the first O site, O(1) is bonded to one Li(2), two equivalent Li(1), two equivalent Mn(1), and one Co(4) atom to form OLi3Mn2Co octahedra that share  a cornercorner with one O(10)Li3Co3 octahedra,  a cornercorner with one O(12)Li3Co3 octahedra, corners with four equivalent O(8)Li4Mn2 octahedra, edges with two equivalent O(4)Li3Co3 octahedra, edges with two equivalent O(1)Li3Mn2Co octahedra, edges with two equivalent O(11)Li3MnCo2 octahedra, edges with two equivalent O(8)Li4Mn2 octahedra, edges with two equivalent O(9)Li5Co octahedra, and edges with two equivalent O(2)Li5Mn octahedra. The corner-sharing octahedral tilt angles range from 3-7°. In the second O site, O(2) is bonded to one Li(3), two equivalent Li(2), two equivalent Li(8), and one Mn(1) atom to form OLi5Mn octahedra that share  a cornercorner with one O(11)Li3MnCo2 octahedra,  a cornercorner with one O(14)Li3MnCo2 octahedra, corners with four equivalent O(9)Li5Co octahedra, edges with two equivalent O(10)Li3Co3 octahedra, edges with two equivalent O(1)Li3Mn2Co octahedra, edges with two equivalent O(3)Li4Co2 octahedra, edges with two equivalent O(8)Li4Mn2 octahedra, edges with two equivalent O(9)Li5Co octahedra, and edges with two equivalent O(2)Li5Mn octahedra. The corner-sharing octahedral tilt angles range from 2-6°. In the third O site, O(3) is bonded to one Li(7), one Li(8), two equivalent Li(3), and two equivalent Co(1) atoms to form OLi4Co2 octahedra that share  a cornercorner with one O(13)Li3Mn2Co octahedra,  a cornercorner with one O(8)Li4Mn2 octahedra, corners with four equivalent O(10)Li3Co3 octahedra, edges with two equivalent O(10)Li3Co3 octahedra, edges with two equivalent O(7)Li3Co3 octahedra, edges with two equivalent O(14)Li3MnCo2 octahedra, edges with two equivalent O(3)Li4Co2 octahedra, edges with two equivalent O(9)Li5Co octahedra, and edges with two equivalent O(2)Li5Mn octahedra. The corner-sharing octahedral tilt angles range from 2-9°. In the fourth O site, O(4) is bonded to one Li(1), two equivalent Li(4), one Co(3), and two equivalent Co(4) atoms to form OLi3Co3 octahedra that share  a cornercorner with one O(13)Li3Mn2Co octahedra,  a cornercorner with one O(9)Li5Co octahedra, corners with four equivalent O(11)Li3MnCo2 octahedra, edges with two equivalent O(12)Li3Co3 octahedra, edges with two equivalent O(4)Li3Co3 octahedra, edges with two equivalent O(1)Li3Mn2Co octahedra, edges with two equivalent O(11)Li3MnCo2 octahedra, edges with two equivalent O(5)Li3MnCo2 octahedra, and edges with two equivalent O(8)Li4Mn2 octahedra. The corner-sharing octahedral tilt angles range from 1-5°. In the fifth O site, O(5) is bonded to one Li(4), two equivalent Li(5), one Mn(2), and two equivalent Co(3) atoms to form OLi3MnCo2 octahedra that share  a cornercorner with one O(14)Li3MnCo2 octahedra,  a cornercorner with one O(8)Li4Mn2 octahedra, corners with four equivalent O(12)Li3Co3 octahedra, edges with two equivalent O(12)Li3Co3 octahedra, edges with two equivalent O(4)Li3Co3 octahedra, edges with two equivalent O(13)Li3Mn2Co octahedra, edges with two equivalent O(6)Li3Mn2Co octahedra, edges with two equivalent O(11)Li3MnCo2 octahedra, and edges with two equivalent O(5)Li3MnCo2 octahedra. The corner-sharing octahedral tilt angles range from 0-5°. In the sixth O site, O(6) is bonded to one Li(5), two equivalent Li(6), two equivalent Mn(2), and one Co(2) atom to form OLi3Mn2Co octahedra that share  a cornercorner with one O(10)Li3Co3 octahedra,  a cornercorner with one O(11)Li3MnCo2 octahedra, corners with four equivalent O(13)Li3Mn2Co octahedra, edges with two equivalent O(12)Li3Co3 octahedra, edges with two equivalent O(7)Li3Co3 octahedra, edges with two equivalent O(13)Li3Mn2Co octahedra, edges with two equivalent O(6)Li3Mn2Co octahedra, edges with two equivalent O(14)Li3MnCo2 octahedra, and edges with two equivalent O(5)Li3MnCo2 octahedra. The corner-sharing octahedral tilt angles range from 0-2°. In the seventh O site, O(7) is bonded to one Li(6), two equivalent Li(7), one Co(1), and two equivalent Co(2) atoms to form OLi3Co3 octahedra that share  a cornercorner with one O(12)Li3Co3 octahedra,  a cornercorner with one O(9)Li5Co octahedra, corners with four equivalent O(14)Li3MnCo2 octahedra, edges with two equivalent O(10)Li3Co3 octahedra, edges with two equivalent O(7)Li3Co3 octahedra, edges with two equivalent O(13)Li3Mn2Co octahedra, edges with two equivalent O(6)Li3Mn2Co octahedra, edges with two equivalent O(14)Li3MnCo2 octahedra, and edges with two equivalent O(3)Li4Co2 octahedra. The corner-sharing octahedral tilt angles range from 0-7°. In the eighth O site, O(8) is bonded to one Li(4), one Li(8), two equivalent Li(1), and two equivalent Mn(1) atoms to form OLi4Mn2 octahedra that share  a cornercorner with one O(5)Li3MnCo2 octahedra,  a cornercorner with one O(3)Li4Co2 octahedra, corners with four equivalent O(1)Li3Mn2Co octahedra, edges with two equivalent O(4)Li3Co3 octahedra, edges with two equivalent O(1)Li3Mn2Co octahedra, edges with two equivalent O(11)Li3MnCo2 octahedra, edges with two equivalent O(8)Li4Mn2 octahedra, edges with two equivalent O(9)Li5Co octahedra, and edges with two equivalent O(2)Li5Mn octahedra. The corner-sharing octahedral tilt angles range from 3-7°. In the ninth O site, O(9) is bonded to one Li(1), two equivalent Li(2), two equivalent Li(8), and one Co(1) atom to form OLi5Co octahedra that share  a cornercorner with one O(4)Li3Co3 octahedra,  a cornercorner with one O(7)Li3Co3 octahedra, corners with four equivalent O(2)Li5Mn octahedra, edges with two equivalent O(10)Li3Co3 octahedra, edges with two equivalent O(1)Li3Mn2Co octahedra, edges with two equivalent O(3)Li4Co2 octahedra, edges with two equivalent O(8)Li4Mn2 octahedra, edges with two equivalent O(9)Li5Co octahedra, and edges with two equivalent O(2)Li5Mn octahedra. The corner-sharing octahedral tilt angles range from 2-7°. In the tenth O site, O(10) is bonded to one Li(2), two equivalent Li(3), one Co(2), and two equivalent Co(1) atoms to form OLi3Co3 octahedra that share  a cornercorner with one O(1)Li3Mn2Co octahedra,  a cornercorner with one O(6)Li3Mn2Co octahedra, corners with four equivalent O(3)Li4Co2 octahedra, edges with two equivalent O(10)Li3Co3 octahedra, edges with two equivalent O(7)Li3Co3 octahedra, edges with two equivalent O(14)Li3MnCo2 octahedra, edges with two equivalent O(3)Li4Co2 octahedra, edges with two equivalent O(9)Li5Co octahedra, and edges with two equivalent O(2)Li5Mn octahedra. The corner-sharing octahedral tilt angles range from 1-9°. In the eleventh O site, O(11) is bonded to one Li(5), two equivalent Li(4), one Mn(1), and two equivalent Co(4) atoms to form OLi3MnCo2 octahedra that share  a cornercorner with one O(6)Li3Mn2Co octahedra,  a cornercorner with one O(2)Li5Mn octahedra, corners with four equivalent O(4)Li3Co3 octahedra, edges with two equivalent O(12)Li3Co3 octahedra, edges with two equivalent O(4)Li3Co3 octahedra, edges with two equivalent O(1)Li3Mn2Co octahedra, edges with two equivalent O(11)Li3MnCo2 octahedra, edges with two equivalent O(5)Li3MnCo2 octahedra, and edges with two equivalent O(8)Li4Mn2 octahedra. The corner-sharing octahedral tilt angles range from 1-6°. In the twelfth O site, O(12) is bonded to one Li(6), two equivalent Li(5), one Co(4), and two equivalent Co(3) atoms to form OLi3Co3 octahedra that share  a cornercorner with one O(7)Li3Co3 octahedra,  a cornercorner with one O(1)Li3Mn2Co octahedra, corners with four equivalent O(5)Li3MnCo2 octahedra, edges with two equivalent O(12)Li3Co3 octahedra, edges with two equivalent O(4)Li3Co3 octahedra, edges with two equivalent O(13)Li3Mn2Co octahedra, edges with two equivalent O(6)Li3Mn2Co octahedra, edges with two equivalent O(11)Li3MnCo2 octahedra, and edges with two equivalent O(5)Li3MnCo2 octahedra. The corner-sharing octahedral tilt angles range from 0-3°. In the thirteenth O site, O(13) is bonded to one Li(7), two equivalent Li(6), two equivalent Mn(2), and one Co(3) atom to form OLi3Mn2Co octahedra that share  a cornercorner with one O(4)Li3Co3 octahedra,  a cornercorner with one O(3)Li4Co2 octahedra, corners with four equivalent O(6)Li3Mn2Co octahedra, edges with two equivalent O(12)Li3Co3 octahedra, edges with two equivalent O(7)Li3Co3 octahedra, edges with two equivalent O(13)Li3Mn2Co octahedra, edges with two equivalent O(6)Li3Mn2Co octahedra, edges with two equivalent O(14)Li3MnCo2 octahedra, and edges with two equivalent O(5)Li3MnCo2 octahedra. The corner-sharing octahedral tilt angles range from 0-2°. In the fourteenth O site, O(14) is bonded to one Li(3), two equivalent Li(7), one Mn(2), and two equivalent Co(2) atoms to form OLi3MnCo2 octahedra that share  a cornercorner with one O(5)Li3MnCo2 octahedra,  a cornercorner with one O(2)Li5Mn octahedra, corners with four equivalent O(7)Li3Co3 octahedra, edges with two equivalent O(10)Li3Co3 octahedra, edges with two equivalent O(7)Li3Co3 octahedra, edges with two equivalent O(13)Li3Mn2Co octahedra, edges with two equivalent O(6)Li3Mn2Co octahedra, edges with two equivalent O(14)Li3MnCo2 octahedra, and edges with two equivalent O(3)Li4Co2 octahedra. The corner-sharing octahedral tilt angles range from 0-5°.