Li7Mn2(CoO4)3 is Caswellsilverite-derived structured and crystallizes in the triclinic P1 space group. There are seven inequivalent Li sites. In the first Li site, Li(1) is bonded to one O(1), one O(10), one O(3), one O(4), one O(7), and one O(9) atom to form LiO6 octahedra that share corners with two equivalent Mn(2)O6 octahedra, corners with two equivalent Co(2)O6 octahedra, corners with two equivalent Co(3)O6 octahedra,  an edgeedge with one Li(2)O6 octahedra,  an edgeedge with one Li(5)O6 octahedra,  an edgeedge with one Li(7)O6 octahedra,  an edgeedge with one Mn(2)O6 octahedra,  an edgeedge with one Co(1)O6 octahedra,  an edgeedge with one Co(2)O6 octahedra, edges with two equivalent Li(3)O6 octahedra, edges with two equivalent Li(4)O6 octahedra, and edges with two equivalent Mn(1)O6 octahedra. The corner-sharing octahedral tilt angles range from 3-10°. In the second Li site, Li(2) is bonded to one O(10), one O(12), one O(2), one O(4), one O(6), and one O(8) atom to form LiO6 octahedra that share corners with two equivalent Mn(2)O6 octahedra, corners with two equivalent Co(2)O6 octahedra, corners with two equivalent Co(3)O6 octahedra,  an edgeedge with one Li(1)O6 octahedra,  an edgeedge with one Li(5)O6 octahedra,  an edgeedge with one Li(7)O6 octahedra,  an edgeedge with one Mn(1)O6 octahedra,  an edgeedge with one Co(2)O6 octahedra,  an edgeedge with one Co(3)O6 octahedra, edges with two equivalent Li(4)O6 octahedra, edges with two equivalent Li(6)O6 octahedra, and edges with two equivalent Co(1)O6 octahedra. The corner-sharing octahedral tilt angles range from 2-12°. In the third Li site, Li(3) is bonded to one O(1), one O(11), one O(3), one O(5), one O(7), and one O(9) atom to form LiO6 octahedra that share corners with two equivalent Li(7)O6 octahedra, corners with two equivalent Mn(1)O6 octahedra, corners with two equivalent Co(1)O6 octahedra,  an edgeedge with one Li(4)O6 octahedra,  an edgeedge with one Li(6)O6 octahedra,  an edgeedge with one Li(7)O6 octahedra,  an edgeedge with one Mn(1)O6 octahedra,  an edgeedge with one Co(2)O6 octahedra,  an edgeedge with one Co(3)O6 octahedra, edges with two equivalent Li(1)O6 octahedra, edges with two equivalent Li(5)O6 octahedra, and edges with two equivalent Mn(2)O6 octahedra. The corner-sharing octahedral tilt angles range from 6-11°. In the fourth Li site, Li(4) is bonded to one O(1), one O(10), one O(2), one O(4), one O(7), and one O(8) atom to form LiO6 octahedra that share corners with two equivalent Li(7)O6 octahedra, corners with two equivalent Mn(1)O6 octahedra, corners with two equivalent Co(1)O6 octahedra,  an edgeedge with one Li(3)O6 octahedra,  an edgeedge with one Li(6)O6 octahedra,  an edgeedge with one Mn(1)O6 octahedra,  an edgeedge with one Mn(2)O6 octahedra,  an edgeedge with one Co(1)O6 octahedra,  an edgeedge with one Co(3)O6 octahedra, edges with two equivalent Li(1)O6 octahedra, edges with two equivalent Li(2)O6 octahedra, and edges with two equivalent Co(2)O6 octahedra. The corner-sharing octahedral tilt angles range from 4-10°. In the fifth Li site, Li(5) is bonded to one O(11), one O(12), one O(3), one O(5), one O(6), and one O(9) atom to form LiO6 octahedra that share corners with two equivalent Mn(2)O6 octahedra, corners with two equivalent Co(2)O6 octahedra, corners with two equivalent Co(3)O6 octahedra,  an edgeedge with one Li(1)O6 octahedra,  an edgeedge with one Li(2)O6 octahedra,  an edgeedge with one Mn(1)O6 octahedra,  an edgeedge with one Mn(2)O6 octahedra,  an edgeedge with one Co(1)O6 octahedra,  an edgeedge with one Co(3)O6 octahedra, edges with two equivalent Li(3)O6 octahedra, edges with two equivalent Li(6)O6 octahedra, and edges with two equivalent Li(7)O6 octahedra. The corner-sharing octahedral tilt angles range from 4-10°. In the sixth Li site, Li(6) is bonded to one O(11), one O(12), one O(2), one O(5), one O(6), and one O(8) atom to form LiO6 octahedra that share corners with two equivalent Li(7)O6 octahedra, corners with two equivalent Mn(1)O6 octahedra, corners with two equivalent Co(1)O6 octahedra,  an edgeedge with one Li(3)O6 octahedra,  an edgeedge with one Li(4)O6 octahedra,  an edgeedge with one Li(7)O6 octahedra,  an edgeedge with one Mn(2)O6 octahedra,  an edgeedge with one Co(1)O6 octahedra,  an edgeedge with one Co(2)O6 octahedra, edges with two equivalent Li(2)O6 octahedra, edges with two equivalent Li(5)O6 octahedra, and edges with two equivalent Co(3)O6 octahedra. The corner-sharing octahedral tilt angles range from 5-10°. In the seventh Li site, Li(7) is bonded to one O(1), one O(11), one O(12), one O(3), one O(5), and one O(8) atom to form LiO6 octahedra that share corners with two equivalent Li(3)O6 octahedra, corners with two equivalent Li(4)O6 octahedra, corners with two equivalent Li(6)O6 octahedra,  an edgeedge with one Li(1)O6 octahedra,  an edgeedge with one Li(2)O6 octahedra,  an edgeedge with one Li(3)O6 octahedra,  an edgeedge with one Li(6)O6 octahedra,  an edgeedge with one Mn(1)O6 octahedra,  an edgeedge with one Co(1)O6 octahedra, edges with two equivalent Li(5)O6 octahedra, edges with two equivalent Mn(2)O6 octahedra, and edges with two equivalent Co(3)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(1), one O(11), one O(2), one O(4), one O(7), and one O(9) atom to form MnO6 octahedra that share corners with two equivalent Li(3)O6 octahedra, corners with two equivalent Li(4)O6 octahedra, corners with two equivalent Li(6)O6 octahedra,  an edgeedge with one Li(2)O6 octahedra,  an edgeedge with one Li(3)O6 octahedra,  an edgeedge with one Li(4)O6 octahedra,  an edgeedge with one Li(5)O6 octahedra,  an edgeedge with one Li(7)O6 octahedra,  an edgeedge with one Co(1)O6 octahedra, edges with two equivalent Li(1)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 4-8°. In the second Mn site, Mn(2) is bonded to one O(1), one O(11), one O(12), one O(3), one O(4), and one O(9) atom to form MnO6 octahedra that share corners with two equivalent Li(1)O6 octahedra, corners with two equivalent Li(2)O6 octahedra, corners with two equivalent Li(5)O6 octahedra,  an edgeedge with one Li(1)O6 octahedra,  an edgeedge with one Li(4)O6 octahedra,  an edgeedge with one Li(5)O6 octahedra,  an edgeedge with one Li(6)O6 octahedra,  an edgeedge with one Co(2)O6 octahedra,  an edgeedge with one Co(3)O6 octahedra, edges with two equivalent Li(3)O6 octahedra, edges with two equivalent Li(7)O6 octahedra, and edges with two equivalent Mn(1)O6 octahedra. The corner-sharing octahedral tilt angles range from 5-8°. There are three inequivalent Co sites. In the first Co site, Co(1) is bonded to one O(10), one O(2), one O(5), one O(6), one O(7), and one O(8) atom to form CoO6 octahedra that share corners with two equivalent Li(3)O6 octahedra, corners with two equivalent Li(4)O6 octahedra, corners with two equivalent Li(6)O6 octahedra,  an edgeedge with one Li(1)O6 octahedra,  an edgeedge with one Li(4)O6 octahedra,  an edgeedge with one Li(5)O6 octahedra,  an edgeedge with one Li(6)O6 octahedra,  an edgeedge with one Li(7)O6 octahedra,  an edgeedge with one Mn(1)O6 octahedra, edges with two equivalent Li(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 8-10°. In the second Co site, Co(2) is bonded to one O(10), one O(2), one O(4), one O(6), one O(7), and one O(9) atom to form CoO6 octahedra that share corners with two equivalent Li(1)O6 octahedra, corners with two equivalent Li(2)O6 octahedra, corners with two equivalent Li(5)O6 octahedra,  an edgeedge with one Li(1)O6 octahedra,  an edgeedge with one Li(2)O6 octahedra,  an edgeedge with one Li(3)O6 octahedra,  an edgeedge with one Li(6)O6 octahedra,  an edgeedge with one Mn(2)O6 octahedra,  an edgeedge with one Co(3)O6 octahedra, edges with two equivalent Li(4)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 7-12°. In the third Co site, Co(3) is bonded to one O(10), one O(12), one O(3), one O(5), one O(6), and one O(8) atom to form CoO6 octahedra that share corners with two equivalent Li(1)O6 octahedra, corners with two equivalent Li(2)O6 octahedra, corners with two equivalent Li(5)O6 octahedra,  an edgeedge with one Li(2)O6 octahedra,  an edgeedge with one Li(3)O6 octahedra,  an edgeedge with one Li(4)O6 octahedra,  an edgeedge with one Li(5)O6 octahedra,  an edgeedge with one Mn(2)O6 octahedra,  an edgeedge with one Co(2)O6 octahedra, edges with two equivalent Li(6)O6 octahedra, edges with two equivalent Li(7)O6 octahedra, and edges with two equivalent Co(1)O6 octahedra. The corner-sharing octahedral tilt angles range from 2-7°. There are twelve inequivalent O sites. In the first O site, O(1) is bonded to one Li(1), one Li(3), one Li(4), one Li(7), one Mn(1), and one Mn(2) atom to form OLi4Mn2 octahedra that share corners with two equivalent O(7)Li3MnCo2 octahedra, corners with two equivalent O(8)Li4Co2 octahedra, corners with two equivalent O(11)Li4Mn2 octahedra,  an edgeedge with one O(10)Li3Co3 octahedra,  an edgeedge with one O(2)Li3MnCo2 octahedra,  an edgeedge with one O(7)Li3MnCo2 octahedra,  an edgeedge with one O(5)Li4Co2 octahedra,  an edgeedge with one O(11)Li4Mn2 octahedra,  an edgeedge with one O(12)Li4MnCo octahedra, edges with two equivalent O(4)Li3Mn2Co octahedra, edges with two equivalent O(9)Li3Mn2Co octahedra, and edges with two equivalent O(3)Li4MnCo octahedra. The corner-sharing octahedral tilt angles range from 2-8°. In the second O site, O(2) is bonded to one Li(2), one Li(4), one Li(6), one Mn(1), one Co(1), and one Co(2) atom to form OLi3MnCo2 octahedra that share corners with two equivalent O(7)Li3MnCo2 octahedra, corners with two equivalent O(8)Li4Co2 octahedra, corners with two equivalent O(11)Li4Mn2 octahedra,  an edgeedge with one O(9)Li3Mn2Co octahedra,  an edgeedge with one O(7)Li3MnCo2 octahedra,  an edgeedge with one O(5)Li4Co2 octahedra,  an edgeedge with one O(8)Li4Co2 octahedra,  an edgeedge with one O(1)Li4Mn2 octahedra,  an edgeedge with one O(12)Li4MnCo octahedra, edges with two equivalent O(10)Li3Co3 octahedra, edges with two equivalent O(6)Li3Co3 octahedra, and edges with two equivalent O(4)Li3Mn2Co octahedra. The corner-sharing octahedral tilt angles range from 5-8°. In the third O site, O(3) is bonded to one Li(1), one Li(3), one Li(5), one Li(7), one Mn(2), and one Co(3) atom to form OLi4MnCo octahedra that share corners with two equivalent O(10)Li3Co3 octahedra, corners with two equivalent O(9)Li3Mn2Co octahedra, corners with two equivalent O(12)Li4MnCo octahedra,  an edgeedge with one O(6)Li3Co3 octahedra,  an edgeedge with one O(4)Li3Mn2Co octahedra,  an edgeedge with one O(9)Li3Mn2Co octahedra,  an edgeedge with one O(7)Li3MnCo2 octahedra,  an edgeedge with one O(8)Li4Co2 octahedra,  an edgeedge with one O(12)Li4MnCo octahedra, edges with two equivalent O(5)Li4Co2 octahedra, edges with two equivalent O(1)Li4Mn2 octahedra, and edges with two equivalent O(11)Li4Mn2 octahedra. The corner-sharing octahedral tilt angles range from 1-5°. In the fourth O site, O(4) is bonded to one Li(1), one Li(2), one Li(4), one Mn(1), one Mn(2), and one Co(2) atom to form OLi3Mn2Co octahedra that share corners with two equivalent O(10)Li3Co3 octahedra, corners with two equivalent O(9)Li3Mn2Co octahedra, corners with two equivalent O(12)Li4MnCo octahedra,  an edgeedge with one O(10)Li3Co3 octahedra,  an edgeedge with one O(6)Li3Co3 octahedra,  an edgeedge with one O(9)Li3Mn2Co octahedra,  an edgeedge with one O(8)Li4Co2 octahedra,  an edgeedge with one O(11)Li4Mn2 octahedra,  an edgeedge with one O(3)Li4MnCo octahedra, edges with two equivalent O(2)Li3MnCo2 octahedra, edges with two equivalent O(7)Li3MnCo2 octahedra, and edges with two equivalent O(1)Li4Mn2 octahedra. The corner-sharing octahedral tilt angles range from 1-6°. In the fifth O site, O(5) is bonded to one Li(3), one Li(5), one Li(6), one Li(7), one Co(1), and one Co(3) atom to form OLi4Co2 octahedra that share corners with two equivalent O(7)Li3MnCo2 octahedra, corners with two equivalent O(8)Li4Co2 octahedra, corners with two equivalent O(11)Li4Mn2 octahedra,  an edgeedge with one O(10)Li3Co3 octahedra,  an edgeedge with one O(9)Li3Mn2Co octahedra,  an edgeedge with one O(2)Li3MnCo2 octahedra,  an edgeedge with one O(8)Li4Co2 octahedra,  an edgeedge with one O(1)Li4Mn2 octahedra,  an edgeedge with one O(11)Li4Mn2 octahedra, edges with two equivalent O(6)Li3Co3 octahedra, edges with two equivalent O(12)Li4MnCo octahedra, and edges with two equivalent O(3)Li4MnCo octahedra. The corner-sharing octahedral tilt angles range from 3-8°. In the sixth O site, O(6) is bonded to one Li(2), one Li(5), one Li(6), one Co(1), one Co(2), and one Co(3) atom to form OLi3Co3 octahedra that share corners with two equivalent O(10)Li3Co3 octahedra, corners with two equivalent O(9)Li3Mn2Co octahedra, corners with two equivalent O(12)Li4MnCo octahedra,  an edgeedge with one O(10)Li3Co3 octahedra,  an edgeedge with one O(4)Li3Mn2Co octahedra,  an edgeedge with one O(7)Li3MnCo2 octahedra,  an edgeedge with one O(11)Li4Mn2 octahedra,  an edgeedge with one O(12)Li4MnCo octahedra,  an edgeedge with one O(3)Li4MnCo octahedra, edges with two equivalent O(2)Li3MnCo2 octahedra, edges with two equivalent O(5)Li4Co2 octahedra, and edges with two equivalent O(8)Li4Co2 octahedra. The corner-sharing octahedral tilt angles range from 2-5°. In the seventh O site, O(7) is bonded to one Li(1), one Li(3), one Li(4), one Mn(1), one Co(1), and one Co(2) atom to form OLi3MnCo2 octahedra that share corners with two equivalent O(2)Li3MnCo2 octahedra, corners with two equivalent O(5)Li4Co2 octahedra, corners with two equivalent O(1)Li4Mn2 octahedra,  an edgeedge with one O(6)Li3Co3 octahedra,  an edgeedge with one O(2)Li3MnCo2 octahedra,  an edgeedge with one O(8)Li4Co2 octahedra,  an edgeedge with one O(1)Li4Mn2 octahedra,  an edgeedge with one O(11)Li4Mn2 octahedra,  an edgeedge with one O(3)Li4MnCo octahedra, edges with two equivalent O(10)Li3Co3 octahedra, edges with two equivalent O(4)Li3Mn2Co octahedra, and edges with two equivalent O(9)Li3Mn2Co octahedra. The corner-sharing octahedral tilt angles range from 2-8°. In the eighth O site, O(8) is bonded to one Li(2), one Li(4), one Li(6), one Li(7), one Co(1), and one Co(3) atom to form OLi4Co2 octahedra that share corners with two equivalent O(2)Li3MnCo2 octahedra, corners with two equivalent O(5)Li4Co2 octahedra, corners with two equivalent O(1)Li4Mn2 octahedra,  an edgeedge with one O(4)Li3Mn2Co octahedra,  an edgeedge with one O(2)Li3MnCo2 octahedra,  an edgeedge with one O(7)Li3MnCo2 octahedra,  an edgeedge with one O(5)Li4Co2 octahedra,  an edgeedge with one O(11)Li4Mn2 octahedra,  an edgeedge with one O(3)Li4MnCo octahedra, edges with two equivalent O(10)Li3Co3 octahedra, edges with two equivalent O(6)Li3Co3 octahedra, and edges with two equivalent O(12)Li4MnCo octahedra. The corner-sharing octahedral tilt angles range from 2-8°. In the ninth O site, O(9) is bonded to one Li(1), one Li(3), one Li(5), one Mn(1), one Mn(2), and one Co(2) atom to form OLi3Mn2Co octahedra that share corners with two equivalent O(6)Li3Co3 octahedra, corners with two equivalent O(4)Li3Mn2Co octahedra, corners with two equivalent O(3)Li4MnCo octahedra,  an edgeedge with one O(10)Li3Co3 octahedra,  an edgeedge with one O(4)Li3Mn2Co octahedra,  an edgeedge with one O(2)Li3MnCo2 octahedra,  an edgeedge with one O(5)Li4Co2 octahedra,  an edgeedge with one O(12)Li4MnCo octahedra,  an edgeedge with one O(3)Li4MnCo octahedra, edges with two equivalent O(7)Li3MnCo2 octahedra, edges with two equivalent O(1)Li4Mn2 octahedra, and edges with two equivalent O(11)Li4Mn2 octahedra. The corner-sharing octahedral tilt angles range from 2-5°. In the tenth O site, O(10) is bonded to one Li(1), one Li(2), one Li(4), one Co(1), one Co(2), and one Co(3) atom to form OLi3Co3 octahedra that share corners with two equivalent O(6)Li3Co3 octahedra, corners with two equivalent O(4)Li3Mn2Co octahedra, corners with two equivalent O(3)Li4MnCo octahedra,  an edgeedge with one O(6)Li3Co3 octahedra,  an edgeedge with one O(4)Li3Mn2Co octahedra,  an edgeedge with one O(9)Li3Mn2Co octahedra,  an edgeedge with one O(5)Li4Co2 octahedra,  an edgeedge with one O(1)Li4Mn2 octahedra,  an edgeedge with one O(12)Li4MnCo octahedra, edges with two equivalent O(2)Li3MnCo2 octahedra, edges with two equivalent O(7)Li3MnCo2 octahedra, and edges with two equivalent O(8)Li4Co2 octahedra. The corner-sharing octahedral tilt angles range from 1-5°. In the eleventh O site, O(11) is bonded to one Li(3), one Li(5), one Li(6), one Li(7), one Mn(1), and one Mn(2) atom to form OLi4Mn2 octahedra that share corners with two equivalent O(2)Li3MnCo2 octahedra, corners with two equivalent O(5)Li4Co2 octahedra, corners with two equivalent O(1)Li4Mn2 octahedra,  an edgeedge with one O(6)Li3Co3 octahedra,  an edgeedge with one O(4)Li3Mn2Co octahedra,  an edgeedge with one O(7)Li3MnCo2 octahedra,  an edgeedge with one O(5)Li4Co2 octahedra,  an edgeedge with one O(8)Li4Co2 octahedra,  an edgeedge with one O(1)Li4Mn2 octahedra, edges with two equivalent O(9)Li3Mn2Co octahedra, edges with two equivalent O(12)Li4MnCo octahedra, and edges with two equivalent O(3)Li4MnCo octahedra. The corner-sharing octahedral tilt angles range from 3-8°. In the twelfth O site, O(12) is bonded to one Li(2), one Li(5), one Li(6), one Li(7), one Mn(2), and one Co(3) atom to form OLi4MnCo octahedra that share corners with two equivalent O(6)Li3Co3 octahedra, corners with two equivalent O(4)Li3Mn2Co octahedra, corners with two equivalent O(3)Li4MnCo octahedra,  an edgeedge with one O(10)Li3Co3 octahedra,  an edgeedge with one O(6)Li3Co3 octahedra,  an edgeedge with one O(9)Li3Mn2Co octahedra,  an edgeedge with one O(2)Li3MnCo2 octahedra,  an edgeedge with one O(1)Li4Mn2 octahedra,  an edgeedge with one O(3)Li4MnCo octahedra, edges with two equivalent O(5)Li4Co2 octahedra, edges with two equivalent O(8)Li4Co2 octahedra, and edges with two equivalent O(11)Li4Mn2 octahedra. The corner-sharing octahedral tilt angles range from 1-6°.
Li7Mn2(CoO4)3 is Caswellsilverite-derived structured and crystallizes in the triclinic P1 space group. There are seven inequivalent Li sites. In the first Li site, Li(1) is bonded to one O(1), one O(10), one O(3), one O(4), one O(7), and one O(9) atom to form LiO6 octahedra that share corners with two equivalent Mn(2)O6 octahedra, corners with two equivalent Co(2)O6 octahedra, corners with two equivalent Co(3)O6 octahedra,  an edgeedge with one Li(2)O6 octahedra,  an edgeedge with one Li(5)O6 octahedra,  an edgeedge with one Li(7)O6 octahedra,  an edgeedge with one Mn(2)O6 octahedra,  an edgeedge with one Co(1)O6 octahedra,  an edgeedge with one Co(2)O6 octahedra, edges with two equivalent Li(3)O6 octahedra, edges with two equivalent Li(4)O6 octahedra, and edges with two equivalent Mn(1)O6 octahedra. The corner-sharing octahedral tilt angles range from 3-10°. The Li(1)-O(1) bond length is 2.18 Å. The Li(1)-O(10) bond length is 2.24 Å. The Li(1)-O(3) bond length is 2.20 Å. The Li(1)-O(4) bond length is 2.05 Å. The Li(1)-O(7) bond length is 2.06 Å. The Li(1)-O(9) bond length is 2.15 Å. In the second Li site, Li(2) is bonded to one O(10), one O(12), one O(2), one O(4), one O(6), and one O(8) atom to form LiO6 octahedra that share corners with two equivalent Mn(2)O6 octahedra, corners with two equivalent Co(2)O6 octahedra, corners with two equivalent Co(3)O6 octahedra,  an edgeedge with one Li(1)O6 octahedra,  an edgeedge with one Li(5)O6 octahedra,  an edgeedge with one Li(7)O6 octahedra,  an edgeedge with one Mn(1)O6 octahedra,  an edgeedge with one Co(2)O6 octahedra,  an edgeedge with one Co(3)O6 octahedra, edges with two equivalent Li(4)O6 octahedra, edges with two equivalent Li(6)O6 octahedra, and edges with two equivalent Co(1)O6 octahedra. The corner-sharing octahedral tilt angles range from 2-12°. The Li(2)-O(10) bond length is 2.03 Å. The Li(2)-O(12) bond length is 2.13 Å. The Li(2)-O(2) bond length is 2.08 Å. The Li(2)-O(4) bond length is 2.27 Å. The Li(2)-O(6) bond length is 2.22 Å. The Li(2)-O(8) bond length is 2.21 Å. In the third Li site, Li(3) is bonded to one O(1), one O(11), one O(3), one O(5), one O(7), and one O(9) atom to form LiO6 octahedra that share corners with two equivalent Li(7)O6 octahedra, corners with two equivalent Mn(1)O6 octahedra, corners with two equivalent Co(1)O6 octahedra,  an edgeedge with one Li(4)O6 octahedra,  an edgeedge with one Li(6)O6 octahedra,  an edgeedge with one Li(7)O6 octahedra,  an edgeedge with one Mn(1)O6 octahedra,  an edgeedge with one Co(2)O6 octahedra,  an edgeedge with one Co(3)O6 octahedra, edges with two equivalent Li(1)O6 octahedra, edges with two equivalent Li(5)O6 octahedra, and edges with two equivalent Mn(2)O6 octahedra. The corner-sharing octahedral tilt angles range from 6-11°. The Li(3)-O(1) bond length is 2.13 Å. The Li(3)-O(11) bond length is 2.09 Å. The Li(3)-O(3) bond length is 2.04 Å. The Li(3)-O(5) bond length is 2.07 Å. The Li(3)-O(7) bond length is 2.20 Å. The Li(3)-O(9) bond length is 2.20 Å. In the fourth Li site, Li(4) is bonded to one O(1), one O(10), one O(2), one O(4), one O(7), and one O(8) atom to form LiO6 octahedra that share corners with two equivalent Li(7)O6 octahedra, corners with two equivalent Mn(1)O6 octahedra, corners with two equivalent Co(1)O6 octahedra,  an edgeedge with one Li(3)O6 octahedra,  an edgeedge with one Li(6)O6 octahedra,  an edgeedge with one Mn(1)O6 octahedra,  an edgeedge with one Mn(2)O6 octahedra,  an edgeedge with one Co(1)O6 octahedra,  an edgeedge with one Co(3)O6 octahedra, edges with two equivalent Li(1)O6 octahedra, edges with two equivalent Li(2)O6 octahedra, and edges with two equivalent Co(2)O6 octahedra. The corner-sharing octahedral tilt angles range from 4-10°. The Li(4)-O(1) bond length is 2.09 Å. The Li(4)-O(10) bond length is 2.07 Å. The Li(4)-O(2) bond length is 2.12 Å. The Li(4)-O(4) bond length is 2.24 Å. The Li(4)-O(7) bond length is 2.21 Å. The Li(4)-O(8) bond length is 2.04 Å. In the fifth Li site, Li(5) is bonded to one O(11), one O(12), one O(3), one O(5), one O(6), and one O(9) atom to form LiO6 octahedra that share corners with two equivalent Mn(2)O6 octahedra, corners with two equivalent Co(2)O6 octahedra, corners with two equivalent Co(3)O6 octahedra,  an edgeedge with one Li(1)O6 octahedra,  an edgeedge with one Li(2)O6 octahedra,  an edgeedge with one Mn(1)O6 octahedra,  an edgeedge with one Mn(2)O6 octahedra,  an edgeedge with one Co(1)O6 octahedra,  an edgeedge with one Co(3)O6 octahedra, edges with two equivalent Li(3)O6 octahedra, edges with two equivalent Li(6)O6 octahedra, and edges with two equivalent Li(7)O6 octahedra. The corner-sharing octahedral tilt angles range from 4-10°. The Li(5)-O(11) bond length is 2.23 Å. The Li(5)-O(12) bond length is 2.23 Å. The Li(5)-O(3) bond length is 2.14 Å. The Li(5)-O(5) bond length is 2.22 Å. The Li(5)-O(6) bond length is 2.00 Å. The Li(5)-O(9) bond length is 2.06 Å. In the sixth Li site, Li(6) is bonded to one O(11), one O(12), one O(2), one O(5), one O(6), and one O(8) atom to form LiO6 octahedra that share corners with two equivalent Li(7)O6 octahedra, corners with two equivalent Mn(1)O6 octahedra, corners with two equivalent Co(1)O6 octahedra,  an edgeedge with one Li(3)O6 octahedra,  an edgeedge with one Li(4)O6 octahedra,  an edgeedge with one Li(7)O6 octahedra,  an edgeedge with one Mn(2)O6 octahedra,  an edgeedge with one Co(1)O6 octahedra,  an edgeedge with one Co(2)O6 octahedra, edges with two equivalent Li(2)O6 octahedra, edges with two equivalent Li(5)O6 octahedra, and edges with two equivalent Co(3)O6 octahedra. The corner-sharing octahedral tilt angles range from 5-10°. The Li(6)-O(11) bond length is 2.17 Å. The Li(6)-O(12) bond length is 2.06 Å. The Li(6)-O(2) bond length is 2.25 Å. The Li(6)-O(5) bond length is 2.09 Å. The Li(6)-O(6) bond length is 2.09 Å. The Li(6)-O(8) bond length is 2.10 Å. In the seventh Li site, Li(7) is bonded to one O(1), one O(11), one O(12), one O(3), one O(5), and one O(8) atom to form LiO6 octahedra that share corners with two equivalent Li(3)O6 octahedra, corners with two equivalent Li(4)O6 octahedra, corners with two equivalent Li(6)O6 octahedra,  an edgeedge with one Li(1)O6 octahedra,  an edgeedge with one Li(2)O6 octahedra,  an edgeedge with one Li(3)O6 octahedra,  an edgeedge with one Li(6)O6 octahedra,  an edgeedge with one Mn(1)O6 octahedra,  an edgeedge with one Co(1)O6 octahedra, edges with two equivalent Li(5)O6 octahedra, edges with two equivalent Mn(2)O6 octahedra, and edges with two equivalent Co(3)O6 octahedra. The corner-sharing octahedral tilt angles range from 7-11°. The Li(7)-O(1) bond length is 2.12 Å. The Li(7)-O(11) bond length is 2.08 Å. The Li(7)-O(12) bond length is 2.10 Å. The Li(7)-O(3) bond length is 2.09 Å. The Li(7)-O(5) bond length is 2.06 Å. The Li(7)-O(8) bond length is 2.06 Å. There are two inequivalent Mn sites. In the first Mn site, Mn(1) is bonded to one O(1), one O(11), one O(2), one O(4), one O(7), and one O(9) atom to form MnO6 octahedra that share corners with two equivalent Li(3)O6 octahedra, corners with two equivalent Li(4)O6 octahedra, corners with two equivalent Li(6)O6 octahedra,  an edgeedge with one Li(2)O6 octahedra,  an edgeedge with one Li(3)O6 octahedra,  an edgeedge with one Li(4)O6 octahedra,  an edgeedge with one Li(5)O6 octahedra,  an edgeedge with one Li(7)O6 octahedra,  an edgeedge with one Co(1)O6 octahedra, edges with two equivalent Li(1)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 4-8°. The Mn(1)-O(1) bond length is 1.94 Å. The Mn(1)-O(11) bond length is 1.94 Å. The Mn(1)-O(2) bond length is 1.94 Å. The Mn(1)-O(4) bond length is 1.95 Å. The Mn(1)-O(7) bond length is 1.94 Å. The Mn(1)-O(9) bond length is 1.95 Å. In the second Mn site, Mn(2) is bonded to one O(1), one O(11), one O(12), one O(3), one O(4), and one O(9) atom to form MnO6 octahedra that share corners with two equivalent Li(1)O6 octahedra, corners with two equivalent Li(2)O6 octahedra, corners with two equivalent Li(5)O6 octahedra,  an edgeedge with one Li(1)O6 octahedra,  an edgeedge with one Li(4)O6 octahedra,  an edgeedge with one Li(5)O6 octahedra,  an edgeedge with one Li(6)O6 octahedra,  an edgeedge with one Co(2)O6 octahedra,  an edgeedge with one Co(3)O6 octahedra, edges with two equivalent Li(3)O6 octahedra, edges with two equivalent Li(7)O6 octahedra, and edges with two equivalent Mn(1)O6 octahedra. The corner-sharing octahedral tilt angles range from 5-8°. The Mn(2)-O(1) bond length is 1.95 Å. The Mn(2)-O(11) bond length is 1.94 Å. The Mn(2)-O(12) bond length is 1.92 Å. The Mn(2)-O(3) bond length is 1.91 Å. The Mn(2)-O(4) bond length is 1.98 Å. The Mn(2)-O(9) bond length is 2.00 Å. There are three inequivalent Co sites. In the first Co site, Co(1) is bonded to one O(10), one O(2), one O(5), one O(6), one O(7), and one O(8) atom to form CoO6 octahedra that share corners with two equivalent Li(3)O6 octahedra, corners with two equivalent Li(4)O6 octahedra, corners with two equivalent Li(6)O6 octahedra,  an edgeedge with one Li(1)O6 octahedra,  an edgeedge with one Li(4)O6 octahedra,  an edgeedge with one Li(5)O6 octahedra,  an edgeedge with one Li(6)O6 octahedra,  an edgeedge with one Li(7)O6 octahedra,  an edgeedge with one Mn(1)O6 octahedra, edges with two equivalent Li(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 8-10°. The Co(1)-O(10) bond length is 2.03 Å. The Co(1)-O(2) bond length is 2.04 Å. The Co(1)-O(5) bond length is 1.99 Å. The Co(1)-O(6) bond length is 2.03 Å. The Co(1)-O(7) bond length is 2.06 Å. The Co(1)-O(8) bond length is 1.97 Å. In the second Co site, Co(2) is bonded to one O(10), one O(2), one O(4), one O(6), one O(7), and one O(9) atom to form CoO6 octahedra that share corners with two equivalent Li(1)O6 octahedra, corners with two equivalent Li(2)O6 octahedra, corners with two equivalent Li(5)O6 octahedra,  an edgeedge with one Li(1)O6 octahedra,  an edgeedge with one Li(2)O6 octahedra,  an edgeedge with one Li(3)O6 octahedra,  an edgeedge with one Li(6)O6 octahedra,  an edgeedge with one Mn(2)O6 octahedra,  an edgeedge with one Co(3)O6 octahedra, edges with two equivalent Li(4)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 7-12°. The Co(2)-O(10) bond length is 2.07 Å. The Co(2)-O(2) bond length is 2.09 Å. The Co(2)-O(4) bond length is 2.12 Å. The Co(2)-O(6) bond length is 2.08 Å. The Co(2)-O(7) bond length is 2.10 Å. The Co(2)-O(9) bond length is 2.17 Å. In the third Co site, Co(3) is bonded to one O(10), one O(12), one O(3), one O(5), one O(6), and one O(8) atom to form CoO6 octahedra that share corners with two equivalent Li(1)O6 octahedra, corners with two equivalent Li(2)O6 octahedra, corners with two equivalent Li(5)O6 octahedra,  an edgeedge with one Li(2)O6 octahedra,  an edgeedge with one Li(3)O6 octahedra,  an edgeedge with one Li(4)O6 octahedra,  an edgeedge with one Li(5)O6 octahedra,  an edgeedge with one Mn(2)O6 octahedra,  an edgeedge with one Co(2)O6 octahedra, edges with two equivalent Li(6)O6 octahedra, edges with two equivalent Li(7)O6 octahedra, and edges with two equivalent Co(1)O6 octahedra. The corner-sharing octahedral tilt angles range from 2-7°. The Co(3)-O(10) bond length is 1.93 Å. The Co(3)-O(12) bond length is 1.91 Å. The Co(3)-O(3) bond length is 1.93 Å. The Co(3)-O(5) bond length is 1.89 Å. The Co(3)-O(6) bond length is 1.93 Å. The Co(3)-O(8) bond length is 1.91 Å. There are twelve inequivalent O sites. In the first O site, O(1) is bonded to one Li(1), one Li(3), one Li(4), one Li(7), one Mn(1), and one Mn(2) atom to form OLi4Mn2 octahedra that share corners with two equivalent O(7)Li3MnCo2 octahedra, corners with two equivalent O(8)Li4Co2 octahedra, corners with two equivalent O(11)Li4Mn2 octahedra,  an edgeedge with one O(10)Li3Co3 octahedra,  an edgeedge with one O(2)Li3MnCo2 octahedra,  an edgeedge with one O(7)Li3MnCo2 octahedra,  an edgeedge with one O(5)Li4Co2 octahedra,  an edgeedge with one O(11)Li4Mn2 octahedra,  an edgeedge with one O(12)Li4MnCo octahedra, edges with two equivalent O(4)Li3Mn2Co octahedra, edges with two equivalent O(9)Li3Mn2Co octahedra, and edges with two equivalent O(3)Li4MnCo octahedra. The corner-sharing octahedral tilt angles range from 2-8°. In the second O site, O(2) is bonded to one Li(2), one Li(4), one Li(6), one Mn(1), one Co(1), and one Co(2) atom to form OLi3MnCo2 octahedra that share corners with two equivalent O(7)Li3MnCo2 octahedra, corners with two equivalent O(8)Li4Co2 octahedra, corners with two equivalent O(11)Li4Mn2 octahedra,  an edgeedge with one O(9)Li3Mn2Co octahedra,  an edgeedge with one O(7)Li3MnCo2 octahedra,  an edgeedge with one O(5)Li4Co2 octahedra,  an edgeedge with one O(8)Li4Co2 octahedra,  an edgeedge with one O(1)Li4Mn2 octahedra,  an edgeedge with one O(12)Li4MnCo octahedra, edges with two equivalent O(10)Li3Co3 octahedra, edges with two equivalent O(6)Li3Co3 octahedra, and edges with two equivalent O(4)Li3Mn2Co octahedra. The corner-sharing octahedral tilt angles range from 5-8°. In the third O site, O(3) is bonded to one Li(1), one Li(3), one Li(5), one Li(7), one Mn(2), and one Co(3) atom to form OLi4MnCo octahedra that share corners with two equivalent O(10)Li3Co3 octahedra, corners with two equivalent O(9)Li3Mn2Co octahedra, corners with two equivalent O(12)Li4MnCo octahedra,  an edgeedge with one O(6)Li3Co3 octahedra,  an edgeedge with one O(4)Li3Mn2Co octahedra,  an edgeedge with one O(9)Li3Mn2Co octahedra,  an edgeedge with one O(7)Li3MnCo2 octahedra,  an edgeedge with one O(8)Li4Co2 octahedra,  an edgeedge with one O(12)Li4MnCo octahedra, edges with two equivalent O(5)Li4Co2 octahedra, edges with two equivalent O(1)Li4Mn2 octahedra, and edges with two equivalent O(11)Li4Mn2 octahedra. The corner-sharing octahedral tilt angles range from 1-5°. In the fourth O site, O(4) is bonded to one Li(1), one Li(2), one Li(4), one Mn(1), one Mn(2), and one Co(2) atom to form OLi3Mn2Co octahedra that share corners with two equivalent O(10)Li3Co3 octahedra, corners with two equivalent O(9)Li3Mn2Co octahedra, corners with two equivalent O(12)Li4MnCo octahedra,  an edgeedge with one O(10)Li3Co3 octahedra,  an edgeedge with one O(6)Li3Co3 octahedra,  an edgeedge with one O(9)Li3Mn2Co octahedra,  an edgeedge with one O(8)Li4Co2 octahedra,  an edgeedge with one O(11)Li4Mn2 octahedra,  an edgeedge with one O(3)Li4MnCo octahedra, edges with two equivalent O(2)Li3MnCo2 octahedra, edges with two equivalent O(7)Li3MnCo2 octahedra, and edges with two equivalent O(1)Li4Mn2 octahedra. The corner-sharing octahedral tilt angles range from 1-6°. In the fifth O site, O(5) is bonded to one Li(3), one Li(5), one Li(6), one Li(7), one Co(1), and one Co(3) atom to form OLi4Co2 octahedra that share corners with two equivalent O(7)Li3MnCo2 octahedra, corners with two equivalent O(8)Li4Co2 octahedra, corners with two equivalent O(11)Li4Mn2 octahedra,  an edgeedge with one O(10)Li3Co3 octahedra,  an edgeedge with one O(9)Li3Mn2Co octahedra,  an edgeedge with one O(2)Li3MnCo2 octahedra,  an edgeedge with one O(8)Li4Co2 octahedra,  an edgeedge with one O(1)Li4Mn2 octahedra,  an edgeedge with one O(11)Li4Mn2 octahedra, edges with two equivalent O(6)Li3Co3 octahedra, edges with two equivalent O(12)Li4MnCo octahedra, and edges with two equivalent O(3)Li4MnCo octahedra. The corner-sharing octahedral tilt angles range from 3-8°. In the sixth O site, O(6) is bonded to one Li(2), one Li(5), one Li(6), one Co(1), one Co(2), and one Co(3) atom to form OLi3Co3 octahedra that share corners with two equivalent O(10)Li3Co3 octahedra, corners with two equivalent O(9)Li3Mn2Co octahedra, corners with two equivalent O(12)Li4MnCo octahedra,  an edgeedge with one O(10)Li3Co3 octahedra,  an edgeedge with one O(4)Li3Mn2Co octahedra,  an edgeedge with one O(7)Li3MnCo2 octahedra,  an edgeedge with one O(11)Li4Mn2 octahedra,  an edgeedge with one O(12)Li4MnCo octahedra,  an edgeedge with one O(3)Li4MnCo octahedra, edges with two equivalent O(2)Li3MnCo2 octahedra, edges with two equivalent O(5)Li4Co2 octahedra, and edges with two equivalent O(8)Li4Co2 octahedra. The corner-sharing octahedral tilt angles range from 2-5°. In the seventh O site, O(7) is bonded to one Li(1), one Li(3), one Li(4), one Mn(1), one Co(1), and one Co(2) atom to form OLi3MnCo2 octahedra that share corners with two equivalent O(2)Li3MnCo2 octahedra, corners with two equivalent O(5)Li4Co2 octahedra, corners with two equivalent O(1)Li4Mn2 octahedra,  an edgeedge with one O(6)Li3Co3 octahedra,  an edgeedge with one O(2)Li3MnCo2 octahedra,  an edgeedge with one O(8)Li4Co2 octahedra,  an edgeedge with one O(1)Li4Mn2 octahedra,  an edgeedge with one O(11)Li4Mn2 octahedra,  an edgeedge with one O(3)Li4MnCo octahedra, edges with two equivalent O(10)Li3Co3 octahedra, edges with two equivalent O(4)Li3Mn2Co octahedra, and edges with two equivalent O(9)Li3Mn2Co octahedra. The corner-sharing octahedral tilt angles range from 2-8°. In the eighth O site, O(8) is bonded to one Li(2), one Li(4), one Li(6), one Li(7), one Co(1), and one Co(3) atom to form OLi4Co2 octahedra that share corners with two equivalent O(2)Li3MnCo2 octahedra, corners with two equivalent O(5)Li4Co2 octahedra, corners with two equivalent O(1)Li4Mn2 octahedra,  an edgeedge with one O(4)Li3Mn2Co octahedra,  an edgeedge with one O(2)Li3MnCo2 octahedra,  an edgeedge with one O(7)Li3MnCo2 octahedra,  an edgeedge with one O(5)Li4Co2 octahedra,  an edgeedge with one O(11)Li4Mn2 octahedra,  an edgeedge with one O(3)Li4MnCo octahedra, edges with two equivalent O(10)Li3Co3 octahedra, edges with two equivalent O(6)Li3Co3 octahedra, and edges with two equivalent O(12)Li4MnCo octahedra. The corner-sharing octahedral tilt angles range from 2-8°. In the ninth O site, O(9) is bonded to one Li(1), one Li(3), one Li(5), one Mn(1), one Mn(2), and one Co(2) atom to form OLi3Mn2Co octahedra that share corners with two equivalent O(6)Li3Co3 octahedra, corners with two equivalent O(4)Li3Mn2Co octahedra, corners with two equivalent O(3)Li4MnCo octahedra,  an edgeedge with one O(10)Li3Co3 octahedra,  an edgeedge with one O(4)Li3Mn2Co octahedra,  an edgeedge with one O(2)Li3MnCo2 octahedra,  an edgeedge with one O(5)Li4Co2 octahedra,  an edgeedge with one O(12)Li4MnCo octahedra,  an edgeedge with one O(3)Li4MnCo octahedra, edges with two equivalent O(7)Li3MnCo2 octahedra, edges with two equivalent O(1)Li4Mn2 octahedra, and edges with two equivalent O(11)Li4Mn2 octahedra. The corner-sharing octahedral tilt angles range from 2-5°. In the tenth O site, O(10) is bonded to one Li(1), one Li(2), one Li(4), one Co(1), one Co(2), and one Co(3) atom to form OLi3Co3 octahedra that share corners with two equivalent O(6)Li3Co3 octahedra, corners with two equivalent O(4)Li3Mn2Co octahedra, corners with two equivalent O(3)Li4MnCo octahedra,  an edgeedge with one O(6)Li3Co3 octahedra,  an edgeedge with one O(4)Li3Mn2Co octahedra,  an edgeedge with one O(9)Li3Mn2Co octahedra,  an edgeedge with one O(5)Li4Co2 octahedra,  an edgeedge with one O(1)Li4Mn2 octahedra,  an edgeedge with one O(12)Li4MnCo octahedra, edges with two equivalent O(2)Li3MnCo2 octahedra, edges with two equivalent O(7)Li3MnCo2 octahedra, and edges with two equivalent O(8)Li4Co2 octahedra. The corner-sharing octahedral tilt angles range from 1-5°. In the eleventh O site, O(11) is bonded to one Li(3), one Li(5), one Li(6), one Li(7), one Mn(1), and one Mn(2) atom to form OLi4Mn2 octahedra that share corners with two equivalent O(2)Li3MnCo2 octahedra, corners with two equivalent O(5)Li4Co2 octahedra, corners with two equivalent O(1)Li4Mn2 octahedra,  an edgeedge with one O(6)Li3Co3 octahedra,  an edgeedge with one O(4)Li3Mn2Co octahedra,  an edgeedge with one O(7)Li3MnCo2 octahedra,  an edgeedge with one O(5)Li4Co2 octahedra,  an edgeedge with one O(8)Li4Co2 octahedra,  an edgeedge with one O(1)Li4Mn2 octahedra, edges with two equivalent O(9)Li3Mn2Co octahedra, edges with two equivalent O(12)Li4MnCo octahedra, and edges with two equivalent O(3)Li4MnCo octahedra. The corner-sharing octahedral tilt angles range from 3-8°. In the twelfth O site, O(12) is bonded to one Li(2), one Li(5), one Li(6), one Li(7), one Mn(2), and one Co(3) atom to form OLi4MnCo octahedra that share corners with two equivalent O(6)Li3Co3 octahedra, corners with two equivalent O(4)Li3Mn2Co octahedra, corners with two equivalent O(3)Li4MnCo octahedra,  an edgeedge with one O(10)Li3Co3 octahedra,  an edgeedge with one O(6)Li3Co3 octahedra,  an edgeedge with one O(9)Li3Mn2Co octahedra,  an edgeedge with one O(2)Li3MnCo2 octahedra,  an edgeedge with one O(1)Li4Mn2 octahedra,  an edgeedge with one O(3)Li4MnCo octahedra, edges with two equivalent O(5)Li4Co2 octahedra, edges with two equivalent O(8)Li4Co2 octahedra, and edges with two equivalent O(11)Li4Mn2 octahedra. The corner-sharing octahedral tilt angles range from 1-6°.