The material structure described by Li8Fe3Co7O20 crystallizes in the monoclinic Pm space group. There are eight inequivalent Li sites. In the first Li site, Li(1) is bonded to one O(20), one O(4), two equivalent O(2), and two equivalent O(3) atoms to form distorted LiO6 octahedra that share  a cornercorner with one Co(4)O6 octahedra,  a cornercorner with one Co(7)O6 octahedra, corners with four equivalent Co(2)O6 octahedra, edges with two equivalent Li(1)O6 octahedra, edges with two equivalent Li(8)O6 octahedra, edges with two equivalent Co(1)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 3-20°. In the second Li site, Li(2) is bonded to one O(5), one O(9), two equivalent O(6), and two equivalent O(7) atoms to form distorted LiO6 octahedra that share  a cornercorner with one Co(2)O6 octahedra,  a cornercorner with one Co(5)O6 octahedra, corners with four equivalent Co(4)O6 octahedra, edges with two equivalent Li(2)O6 octahedra, edges with two equivalent Li(3)O6 octahedra, edges with two equivalent Fe(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 2-21°. In the third Li site, Li(3) is bonded to one O(11), one O(7), two equivalent O(8), and two equivalent O(9) atoms to form LiO6 octahedra that share  a cornercorner with one Fe(2)O6 octahedra,  a cornercorner with one Co(3)O6 octahedra, corners with four equivalent Fe(1)O6 octahedra, edges with two equivalent Li(2)O6 octahedra, edges with two equivalent Li(3)O6 octahedra, edges with two equivalent Li(4)O6 octahedra, edges with two equivalent Fe(1)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 4-9°. In the fourth Li site, Li(4) is bonded to one O(13), one O(8), two equivalent O(10), and two equivalent O(11) atoms to form LiO6 octahedra that share  a cornercorner with one Co(4)O6 octahedra,  a cornercorner with one Co(6)O6 octahedra, corners with four equivalent Co(5)O6 octahedra, edges with two equivalent Li(3)O6 octahedra, edges with two equivalent Li(4)O6 octahedra, edges with two equivalent Li(5)O6 octahedra, edges with two equivalent Fe(1)O6 octahedra, edges with two equivalent Fe(2)O6 octahedra, and edges with two equivalent Co(5)O6 octahedra. The corner-sharing octahedral tilt angles range from 3-6°. In the fifth Li site, Li(5) is bonded to one O(10), one O(14), two equivalent O(12), and two equivalent O(13) atoms to form LiO6 octahedra that share  a cornercorner with one Fe(1)O6 octahedra,  a cornercorner with one Fe(3)O6 octahedra, corners with four equivalent Fe(2)O6 octahedra, edges with two equivalent Li(4)O6 octahedra, edges with two equivalent Li(5)O6 octahedra, edges with two equivalent Fe(2)O6 octahedra, edges with two equivalent Co(5)O6 octahedra, and edges with two equivalent Co(6)O6 octahedra. The corner-sharing octahedral tilt angles range from 6-19°. In the sixth Li site, Li(6) is bonded to one O(15), one O(19), two equivalent O(16), and two equivalent O(17) atoms to form LiO6 octahedra that share  a cornercorner with one Fe(2)O6 octahedra,  a cornercorner with one Co(1)O6 octahedra, corners with four equivalent Fe(3)O6 octahedra, edges with two equivalent Li(6)O6 octahedra, edges with two equivalent Li(7)O6 octahedra, edges with two equivalent Fe(3)O6 octahedra, edges with two equivalent Co(6)O6 octahedra, and edges with two equivalent Co(7)O6 octahedra. The corner-sharing octahedral tilt angles range from 6-19°. In the seventh Li site, Li(7) is bonded to one O(1), one O(17), two equivalent O(18), and two equivalent O(19) atoms to form LiO6 octahedra that share  a cornercorner with one Co(2)O6 octahedra,  a cornercorner with one Co(6)O6 octahedra, corners with four equivalent Co(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 Fe(3)O6 octahedra, edges with two equivalent Co(1)O6 octahedra, and edges with two equivalent Co(7)O6 octahedra. The corner-sharing octahedral tilt angles range from 6-7°. In the eighth Li site, Li(8) is bonded to one O(18), one O(3), two equivalent O(1), and two equivalent O(20) atoms to form LiO6 octahedra that share  a cornercorner with one Fe(3)O6 octahedra,  a cornercorner with one Co(3)O6 octahedra, corners with four equivalent Co(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 Co(1)O6 octahedra, edges with two equivalent Co(2)O6 octahedra, and edges with two equivalent Co(7)O6 octahedra. The corner-sharing octahedral tilt angles range from 4-10°. There are three inequivalent Fe sites. In the first Fe site, Fe(1) is bonded to one O(10), one O(6), two equivalent O(8), and two equivalent O(9) atoms to form FeO6 octahedra that share  a cornercorner with one Li(5)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(4)O6 octahedra, edges with two equivalent Fe(1)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 4-6°. In the second Fe site, Fe(2) is bonded to one O(11), one O(15), two equivalent O(12), and two equivalent O(13) atoms to form FeO6 octahedra that share  a cornercorner with one Li(3)O6 octahedra,  a cornercorner with one Li(6)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 Fe(2)O6 octahedra, edges with two equivalent Co(5)O6 octahedra, and edges with two equivalent Co(6)O6 octahedra. The corner-sharing octahedral tilt angles range from 4-19°. In the third Fe site, Fe(3) is bonded to one O(14), one O(18), two equivalent O(16), and two equivalent O(17) atoms to form FeO6 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(6)O6 octahedra, edges with two equivalent Li(7)O6 octahedra, edges with two equivalent Fe(3)O6 octahedra, edges with two equivalent Co(6)O6 octahedra, and edges with two equivalent Co(7)O6 octahedra. The corner-sharing octahedral tilt angles range from 4-19°. There are seven inequivalent Co sites. In the first Co site, Co(1) is bonded to one O(19), one O(2), two equivalent O(1), and two equivalent O(20) atoms to form CoO6 octahedra that share  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 Co(1)O6 octahedra, edges with two equivalent Co(2)O6 octahedra, and edges with two equivalent Co(7)O6 octahedra. The corner-sharing octahedral tilt angles range from 7-8°. In the second Co site, Co(2) is bonded to one O(1), one O(5), two equivalent O(2), and two equivalent O(3) 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(1)O6 octahedra, edges with two equivalent Li(1)O6 octahedra, edges with two equivalent Li(8)O6 octahedra, edges with two equivalent Co(1)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 7-21°. In the third Co site, Co(3) is bonded to one O(3), one O(7), two equivalent O(4), and two equivalent O(5) atoms to form CoO6 octahedra that share  a cornercorner with one Li(3)O6 octahedra,  a cornercorner with one Li(8)O6 octahedra, edges with two equivalent Li(1)O6 octahedra, edges with two equivalent Li(2)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 9-10°. In the fourth Co site, Co(4) is bonded to one O(4), one O(8), two equivalent O(6), and two equivalent O(7) atoms to form CoO6 octahedra that share  a cornercorner with one Li(1)O6 octahedra,  a cornercorner with one Li(4)O6 octahedra, corners with four equivalent Li(2)O6 octahedra, edges with two equivalent Li(2)O6 octahedra, edges with two equivalent Li(3)O6 octahedra, edges with two equivalent Fe(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 3-20°. In the fifth Co site, Co(5) is bonded to one O(12), one O(9), two equivalent O(10), and two equivalent O(11) atoms to form CoO6 octahedra that share  a cornercorner with one Li(2)O6 octahedra, corners with four equivalent Li(4)O6 octahedra, edges with two equivalent Li(3)O6 octahedra, edges with two equivalent Li(4)O6 octahedra, edges with two equivalent Li(5)O6 octahedra, edges with two equivalent Fe(1)O6 octahedra, edges with two equivalent Fe(2)O6 octahedra, and edges with two equivalent Co(5)O6 octahedra. The corner-sharing octahedral tilt angles range from 2-6°. In the sixth Co site, Co(6) is bonded to one O(13), one O(17), two equivalent O(14), and two equivalent O(15) atoms to form CoO6 octahedra that share  a cornercorner with one Li(4)O6 octahedra,  a cornercorner with one Li(7)O6 octahedra, edges with two equivalent Li(5)O6 octahedra, edges with two equivalent Li(6)O6 octahedra, edges with two equivalent Fe(2)O6 octahedra, edges with two equivalent Fe(3)O6 octahedra, and edges with two equivalent Co(6)O6 octahedra. The corner-sharing octahedral tilt angles range from 6-7°. In the seventh Co site, Co(7) is bonded to one O(16), one O(20), two equivalent O(18), and two equivalent O(19) atoms to form CoO6 octahedra that share  a cornercorner with one Li(1)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 Fe(3)O6 octahedra, edges with two equivalent Co(1)O6 octahedra, and edges with two equivalent Co(7)O6 octahedra. The corner-sharing octahedral tilt angles range from 3-7°. There are twenty inequivalent O sites. In the first O site, O(1) is bonded to one Li(7), two equivalent Li(8), one Co(2), and two equivalent Co(1) atoms to form OLi3Co3 octahedra that share  a cornercorner with one O(17)Li3Fe2Co octahedra, corners with four equivalent O(20)Li3Co3 octahedra,  a cornercorner with one O(5)LiCo3 trigonal pyramid, edges with two equivalent O(1)Li3Co3 octahedra, edges with two equivalent O(19)Li3Co3 octahedra, edges with two equivalent O(20)Li3Co3 octahedra, edges with two equivalent O(3)Li3Co3 octahedra, edges with two equivalent O(18)Li3FeCo2 octahedra, and edges with two equivalent O(2)Li2Co3 square pyramids. The corner-sharing octahedral tilt angles are 1°. In the second O site, O(2) is bonded to two equivalent Li(1), one Co(1), and two equivalent Co(2) atoms to form OLi2Co3 square pyramids that share  a cornercorner with one O(19)Li3Co3 octahedra, corners with four equivalent O(3)Li3Co3 octahedra, corners with two equivalent O(4)LiCo3 trigonal pyramids, corners with two equivalent O(5)LiCo3 trigonal pyramids, edges with two equivalent O(1)Li3Co3 octahedra, edges with two equivalent O(20)Li3Co3 octahedra, edges with two equivalent O(3)Li3Co3 octahedra, and edges with two equivalent O(2)Li2Co3 square pyramids. The corner-sharing octahedral tilt angles range from 0-11°. In the third O site, O(3) is bonded to one Li(8), two equivalent Li(1), one Co(3), 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(18)Li3FeCo2 octahedra, corners with four equivalent O(2)Li2Co3 square pyramids, edges with two equivalent O(1)Li3Co3 octahedra, edges with two equivalent O(20)Li3Co3 octahedra, edges with two equivalent O(3)Li3Co3 octahedra, edges with two equivalent O(2)Li2Co3 square pyramids, edges with two equivalent O(4)LiCo3 trigonal pyramids, and edges with two equivalent O(5)LiCo3 trigonal pyramids. The corner-sharing octahedral tilt angles range from 0-2°. In the fourth O site, O(4) is bonded to one Li(1), one Co(4), and two equivalent Co(3) atoms to form OLiCo3 trigonal pyramids that share  a cornercorner with one O(20)Li3Co3 octahedra,  a cornercorner with one O(8)Li3Fe2Co octahedra, corners with two equivalent O(2)Li2Co3 square pyramids, corners with two equivalent O(6)Li2FeCo2 square pyramids, corners with two equivalent O(4)LiCo3 trigonal pyramids, corners with two equivalent O(5)LiCo3 trigonal pyramids, edges with two equivalent O(3)Li3Co3 octahedra, edges with two equivalent O(7)Li3Co3 octahedra, and  an edgeedge with one O(5)LiCo3 trigonal pyramid. The corner-sharing octahedral tilt angles range from 5-16°. In the fifth O site, O(5) is bonded to one Li(2), one Co(2), and two equivalent Co(3) atoms to form OLiCo3 trigonal pyramids that share  a cornercorner with one O(1)Li3Co3 octahedra,  a cornercorner with one O(9)Li3Fe2Co octahedra, corners with two equivalent O(2)Li2Co3 square pyramids, corners with two equivalent O(6)Li2FeCo2 square pyramids, corners with two equivalent O(4)LiCo3 trigonal pyramids, corners with two equivalent O(5)LiCo3 trigonal pyramids, edges with two equivalent O(3)Li3Co3 octahedra, edges with two equivalent O(7)Li3Co3 octahedra, and  an edgeedge with one O(4)LiCo3 trigonal pyramid. The corner-sharing octahedral tilt angles range from 3-19°. In the sixth O site, O(6) is bonded to two equivalent Li(2), one Fe(1), and two equivalent Co(4) atoms to form OLi2FeCo2 square pyramids that share  a cornercorner with one O(10)Li3FeCo2 octahedra, corners with four equivalent O(7)Li3Co3 octahedra, corners with two equivalent O(4)LiCo3 trigonal pyramids, corners with two equivalent O(5)LiCo3 trigonal pyramids, edges with two equivalent O(7)Li3Co3 octahedra, edges with two equivalent O(8)Li3Fe2Co octahedra, edges with two equivalent O(9)Li3Fe2Co octahedra, and edges with two equivalent O(6)Li2FeCo2 square pyramids. The corner-sharing octahedral tilt angles range from 1-10°. In the seventh O site, O(7) is bonded to one Li(3), two equivalent Li(2), one Co(3), and two equivalent Co(4) atoms to form OLi3Co3 octahedra that share  a cornercorner with one O(3)Li3Co3 octahedra,  a cornercorner with one O(11)Li3FeCo2 octahedra, corners with four equivalent O(6)Li2FeCo2 square pyramids, edges with two equivalent O(7)Li3Co3 octahedra, edges with two equivalent O(8)Li3Fe2Co octahedra, edges with two equivalent O(9)Li3Fe2Co octahedra, edges with two equivalent O(6)Li2FeCo2 square pyramids, edges with two equivalent O(4)LiCo3 trigonal pyramids, and edges with two equivalent O(5)LiCo3 trigonal pyramids. The corner-sharing octahedral tilt angles range from 0-1°. In the eighth O site, O(8) is bonded to one Li(4), two equivalent Li(3), two equivalent Fe(1), and one Co(4) atom to form OLi3Fe2Co octahedra that share  a cornercorner with one O(13)Li3Fe2Co octahedra, corners with four equivalent O(9)Li3Fe2Co octahedra,  a cornercorner with one O(4)LiCo3 trigonal pyramid, edges with two equivalent O(7)Li3Co3 octahedra, edges with two equivalent O(8)Li3Fe2Co octahedra, edges with two equivalent O(9)Li3Fe2Co octahedra, edges with two equivalent O(10)Li3FeCo2 octahedra, edges with two equivalent O(11)Li3FeCo2 octahedra, and edges with two equivalent O(6)Li2FeCo2 square pyramids. The corner-sharing octahedral tilt angles range from 1-2°. In the ninth O site, O(9) is bonded to one Li(2), two equivalent Li(3), two equivalent Fe(1), and one Co(5) atom to form OLi3Fe2Co octahedra that share corners with four equivalent O(8)Li3Fe2Co octahedra,  a cornercorner with one O(12)Li2Fe2Co square pyramid,  a cornercorner with one O(5)LiCo3 trigonal pyramid, edges with two equivalent O(7)Li3Co3 octahedra, edges with two equivalent O(8)Li3Fe2Co octahedra, edges with two equivalent O(9)Li3Fe2Co octahedra, edges with two equivalent O(10)Li3FeCo2 octahedra, edges with two equivalent O(11)Li3FeCo2 octahedra, and edges with two equivalent O(6)Li2FeCo2 square pyramids. The corner-sharing octahedral tilt angles are 1°. In the tenth O site, O(10) is bonded to one Li(5), two equivalent Li(4), one Fe(1), and two equivalent Co(5) atoms to form OLi3FeCo2 octahedra that share corners with four equivalent O(11)Li3FeCo2 octahedra,  a cornercorner with one O(6)Li2FeCo2 square pyramid,  a cornercorner with one O(14)LiFeCo2 trigonal pyramid, edges with two equivalent O(13)Li3Fe2Co octahedra, edges with two equivalent O(8)Li3Fe2Co octahedra, edges with two equivalent O(9)Li3Fe2Co octahedra, edges with two equivalent O(10)Li3FeCo2 octahedra, edges with two equivalent O(11)Li3FeCo2 octahedra, and edges with two equivalent O(12)Li2Fe2Co square pyramids. The corner-sharing octahedral tilt angles range from 0-1°. In the eleventh O site, O(11) is bonded to one Li(3), two equivalent Li(4), one Fe(2), and two equivalent Co(5) atoms to form OLi3FeCo2 octahedra that share  a cornercorner with one O(7)Li3Co3 octahedra, corners with four equivalent O(10)Li3FeCo2 octahedra,  a cornercorner with one O(15)LiFeCo2 trigonal pyramid, edges with two equivalent O(13)Li3Fe2Co octahedra, edges with two equivalent O(8)Li3Fe2Co octahedra, edges with two equivalent O(9)Li3Fe2Co octahedra, edges with two equivalent O(10)Li3FeCo2 octahedra, edges with two equivalent O(11)Li3FeCo2 octahedra, and edges with two equivalent O(12)Li2Fe2Co square pyramids. The corner-sharing octahedral tilt angles range from 0-1°. In the twelfth O site, O(12) is bonded to two equivalent Li(5), two equivalent Fe(2), and one Co(5) atom to form OLi2Fe2Co square pyramids that share  a cornercorner with one O(9)Li3Fe2Co octahedra, corners with four equivalent O(13)Li3Fe2Co octahedra, corners with two equivalent O(14)LiFeCo2 trigonal pyramids, corners with two equivalent O(15)LiFeCo2 trigonal pyramids, edges with two equivalent O(13)Li3Fe2Co octahedra, edges with two equivalent O(10)Li3FeCo2 octahedra, edges with two equivalent O(11)Li3FeCo2 octahedra, and edges with two equivalent O(12)Li2Fe2Co square pyramids. The corner-sharing octahedral tilt angles range from 1-6°. In the thirteenth O site, O(13) is bonded to one Li(4), two equivalent Li(5), two equivalent Fe(2), and one Co(6) atom to form OLi3Fe2Co octahedra that share  a cornercorner with one O(17)Li3Fe2Co octahedra,  a cornercorner with one O(8)Li3Fe2Co octahedra, corners with four equivalent O(12)Li2Fe2Co square pyramids, edges with two equivalent O(13)Li3Fe2Co octahedra, edges with two equivalent O(10)Li3FeCo2 octahedra, edges with two equivalent O(11)Li3FeCo2 octahedra, edges with two equivalent O(12)Li2Fe2Co square pyramids, edges with two equivalent O(14)LiFeCo2 trigonal pyramids, and edges with two equivalent O(15)LiFeCo2 trigonal pyramids. The corner-sharing octahedral tilt angles range from 0-2°. In the fourteenth O site, O(14) is bonded to one Li(5), one Fe(3), and two equivalent Co(6) atoms to form OLiFeCo2 trigonal pyramids that share  a cornercorner with one O(10)Li3FeCo2 octahedra,  a cornercorner with one O(18)Li3FeCo2 octahedra, corners with two equivalent O(12)Li2Fe2Co square pyramids, corners with two equivalent O(16)Li2Fe2Co square pyramids, corners with two equivalent O(14)LiFeCo2 trigonal pyramids, corners with two equivalent O(15)LiFeCo2 trigonal pyramids, edges with two equivalent O(13)Li3Fe2Co octahedra, edges with two equivalent O(17)Li3Fe2Co octahedra, and  an edgeedge with one O(15)LiFeCo2 trigonal pyramid. The corner-sharing octahedral tilt angles range from 7-9°. In the fifteenth O site, O(15) is bonded to one Li(6), one Fe(2), and two equivalent Co(6) atoms to form OLiFeCo2 trigonal pyramids that share  a cornercorner with one O(19)Li3Co3 octahedra,  a cornercorner with one O(11)Li3FeCo2 octahedra, corners with two equivalent O(12)Li2Fe2Co square pyramids, corners with two equivalent O(16)Li2Fe2Co square pyramids, corners with two equivalent O(14)LiFeCo2 trigonal pyramids, corners with two equivalent O(15)LiFeCo2 trigonal pyramids, edges with two equivalent O(13)Li3Fe2Co octahedra, edges with two equivalent O(17)Li3Fe2Co octahedra, and  an edgeedge with one O(14)LiFeCo2 trigonal pyramid. The corner-sharing octahedral tilt angles range from 7-9°. In the sixteenth O site, O(16) is bonded to two equivalent Li(6), two equivalent Fe(3), and one Co(7) atom to form OLi2Fe2Co square pyramids that share  a cornercorner with one O(20)Li3Co3 octahedra, corners with four equivalent O(17)Li3Fe2Co octahedra, corners with two equivalent O(14)LiFeCo2 trigonal pyramids, corners with two equivalent O(15)LiFeCo2 trigonal pyramids, edges with two equivalent O(19)Li3Co3 octahedra, edges with two equivalent O(17)Li3Fe2Co octahedra, edges with two equivalent O(18)Li3FeCo2 octahedra, and edges with two equivalent O(16)Li2Fe2Co square pyramids. The corner-sharing octahedral tilt angles range from 3-7°. In the seventeenth O site, O(17) is bonded to one Li(7), two equivalent Li(6), two equivalent Fe(3), and one Co(6) atom to form OLi3Fe2Co octahedra that share  a cornercorner with one O(1)Li3Co3 octahedra,  a cornercorner with one O(13)Li3Fe2Co octahedra, corners with four equivalent O(16)Li2Fe2Co square pyramids, edges with two equivalent O(19)Li3Co3 octahedra, edges with two equivalent O(17)Li3Fe2Co octahedra, edges with two equivalent O(18)Li3FeCo2 octahedra, edges with two equivalent O(16)Li2Fe2Co square pyramids, edges with two equivalent O(14)LiFeCo2 trigonal pyramids, and edges with two equivalent O(15)LiFeCo2 trigonal pyramids. The corner-sharing octahedral tilt angles range from 0-1°. In the eighteenth O site, O(18) is bonded to one Li(8), two equivalent Li(7), one Fe(3), and two equivalent Co(7) atoms to form OLi3FeCo2 octahedra that share  a cornercorner with one O(3)Li3Co3 octahedra, corners with four equivalent O(19)Li3Co3 octahedra,  a cornercorner with one O(14)LiFeCo2 trigonal pyramid, edges with two equivalent O(1)Li3Co3 octahedra, edges with two equivalent O(19)Li3Co3 octahedra, edges with two equivalent O(20)Li3Co3 octahedra, edges with two equivalent O(17)Li3Fe2Co octahedra, edges with two equivalent O(18)Li3FeCo2 octahedra, and edges with two equivalent O(16)Li2Fe2Co square pyramids. The corner-sharing octahedral tilt angles range from 1-2°. In the nineteenth O site, O(19) is bonded to one Li(6), two equivalent Li(7), one Co(1), and two equivalent Co(7) atoms to form OLi3Co3 octahedra that share corners with four equivalent O(18)Li3FeCo2 octahedra,  a cornercorner with one O(2)Li2Co3 square pyramid,  a cornercorner with one O(15)LiFeCo2 trigonal pyramid, edges with two equivalent O(1)Li3Co3 octahedra, edges with two equivalent O(19)Li3Co3 octahedra, edges with two equivalent O(20)Li3Co3 octahedra, edges with two equivalent O(17)Li3Fe2Co octahedra, edges with two equivalent O(18)Li3FeCo2 octahedra, and edges with two equivalent O(16)Li2Fe2Co square pyramids. The corner-sharing octahedral tilt angles are 1°. In the twentieth O site, O(20) is bonded to one Li(1), two equivalent Li(8), one Co(7), and two equivalent Co(1) atoms to form OLi3Co3 octahedra that share corners with four equivalent O(1)Li3Co3 octahedra,  a cornercorner with one O(16)Li2Fe2Co square pyramid,  a cornercorner with one O(4)LiCo3 trigonal pyramid, edges with two equivalent O(1)Li3Co3 octahedra, edges with two equivalent O(19)Li3Co3 octahedra, edges with two equivalent O(20)Li3Co3 octahedra, edges with two equivalent O(3)Li3Co3 octahedra, edges with two equivalent O(18)Li3FeCo2 octahedra, and edges with two equivalent O(2)Li2Co3 square pyramids. The corner-sharing octahedral tilt angles are 1°. is represented by the Crystallographic Information File (CIF) [CIF]
data_Li8Fe3Co7O20
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   20.508
_cell_length_b   2.876
_cell_length_c   5.920
_cell_angle_alpha   90.000
_cell_angle_beta   83.149
_cell_angle_gamma   90.000
_symmetry_Int_Tables_number   1
_cell_volume   346.736
_cell_formula_units_Z   1
loop_
 _symmetry_equiv_pos_site_id
 _symmetry_equiv_pos_as_xyz
  1  'x, y, z'
loop_
 _atom_site_type_symbol
 _atom_site_label
 _atom_site_symmetry_multiplicity
 _atom_site_fract_x
 _atom_site_fract_y
 _atom_site_fract_z
 _atom_site_occupancy
  Li  Li0  1  0.107  0.500  0.240  1.0
  Li  Li1  1  0.289  0.500  0.563  1.0
  Li  Li2  1  0.398  0.000  0.795  1.0
  Li  Li3  1  0.500  0.500  0.999  1.0
  Li  Li4  1  0.603  0.000  0.211  1.0
  Li  Li5  1  0.797  0.000  0.589  1.0
  Li  Li6  1  0.903  0.500  0.795  1.0
  Li  Li7  1  0.002  0.000  0.006  1.0
  Fe  Fe8  1  0.398  0.000  0.298  1.0
  Fe  Fe9  1  0.602  0.000  0.681  1.0
  Fe  Fe10  1  0.800  0.000  0.118  1.0
  Co  Co11  1  0.002  0.000  0.504  1.0
  Co  Co12  1  0.101  0.500  0.701  1.0
  Co  Co13  1  0.198  0.000  0.902  1.0
  Co  Co14  1  0.297  0.500  0.097  1.0
  Co  Co15  1  0.498  0.500  0.499  1.0
  Co  Co16  1  0.701  0.500  0.900  1.0
  Co  Co17  1  0.904  0.500  0.302  1.0
  O  O18  1  0.005  0.500  0.725  1.0
  O  O19  1  0.095  0.000  0.486  1.0
  O  O20  1  0.105  0.000  0.923  1.0
  O  O21  1  0.203  0.500  0.109  1.0
  O  O22  1  0.195  0.500  0.694  1.0
  O  O23  1  0.300  0.000  0.316  1.0
  O  O24  1  0.291  0.000  0.878  1.0
  O  O25  1  0.394  0.500  0.059  1.0
  O  O26  1  0.401  0.500  0.537  1.0
  O  O27  1  0.498  0.000  0.274  1.0
  O  O28  1  0.501  0.000  0.724  1.0
  O  O29  1  0.593  0.500  0.456  1.0
  O  O30  1  0.607  0.500  0.928  1.0
  O  O31  1  0.701  0.000  0.109  1.0
  O  O32  1  0.700  0.000  0.690  1.0
  O  O33  1  0.808  0.500  0.343  1.0
  O  O34  1  0.795  0.500  0.872  1.0
  O  O35  1  0.901  0.000  0.074  1.0
  O  O36  1  0.906  0.000  0.522  1.0
  O  O37  1  0.999  0.500  0.281  1.0
[/CIF]
.
The material structure described by Li8Fe3Co7O20 crystallizes in the monoclinic Pm space group. There are eight inequivalent Li sites. In the first Li site, Li(1) is bonded to one O(20), one O(4), two equivalent O(2), and two equivalent O(3) atoms to form distorted LiO6 octahedra that share  a cornercorner with one Co(4)O6 octahedra,  a cornercorner with one Co(7)O6 octahedra, corners with four equivalent Co(2)O6 octahedra, edges with two equivalent Li(1)O6 octahedra, edges with two equivalent Li(8)O6 octahedra, edges with two equivalent Co(1)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 3-20°. In the second Li site, Li(2) is bonded to one O(5), one O(9), two equivalent O(6), and two equivalent O(7) atoms to form distorted LiO6 octahedra that share  a cornercorner with one Co(2)O6 octahedra,  a cornercorner with one Co(5)O6 octahedra, corners with four equivalent Co(4)O6 octahedra, edges with two equivalent Li(2)O6 octahedra, edges with two equivalent Li(3)O6 octahedra, edges with two equivalent Fe(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 2-21°. In the third Li site, Li(3) is bonded to one O(11), one O(7), two equivalent O(8), and two equivalent O(9) atoms to form LiO6 octahedra that share  a cornercorner with one Fe(2)O6 octahedra,  a cornercorner with one Co(3)O6 octahedra, corners with four equivalent Fe(1)O6 octahedra, edges with two equivalent Li(2)O6 octahedra, edges with two equivalent Li(3)O6 octahedra, edges with two equivalent Li(4)O6 octahedra, edges with two equivalent Fe(1)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 4-9°. In the fourth Li site, Li(4) is bonded to one O(13), one O(8), two equivalent O(10), and two equivalent O(11) atoms to form LiO6 octahedra that share  a cornercorner with one Co(4)O6 octahedra,  a cornercorner with one Co(6)O6 octahedra, corners with four equivalent Co(5)O6 octahedra, edges with two equivalent Li(3)O6 octahedra, edges with two equivalent Li(4)O6 octahedra, edges with two equivalent Li(5)O6 octahedra, edges with two equivalent Fe(1)O6 octahedra, edges with two equivalent Fe(2)O6 octahedra, and edges with two equivalent Co(5)O6 octahedra. The corner-sharing octahedral tilt angles range from 3-6°. In the fifth Li site, Li(5) is bonded to one O(10), one O(14), two equivalent O(12), and two equivalent O(13) atoms to form LiO6 octahedra that share  a cornercorner with one Fe(1)O6 octahedra,  a cornercorner with one Fe(3)O6 octahedra, corners with four equivalent Fe(2)O6 octahedra, edges with two equivalent Li(4)O6 octahedra, edges with two equivalent Li(5)O6 octahedra, edges with two equivalent Fe(2)O6 octahedra, edges with two equivalent Co(5)O6 octahedra, and edges with two equivalent Co(6)O6 octahedra. The corner-sharing octahedral tilt angles range from 6-19°. In the sixth Li site, Li(6) is bonded to one O(15), one O(19), two equivalent O(16), and two equivalent O(17) atoms to form LiO6 octahedra that share  a cornercorner with one Fe(2)O6 octahedra,  a cornercorner with one Co(1)O6 octahedra, corners with four equivalent Fe(3)O6 octahedra, edges with two equivalent Li(6)O6 octahedra, edges with two equivalent Li(7)O6 octahedra, edges with two equivalent Fe(3)O6 octahedra, edges with two equivalent Co(6)O6 octahedra, and edges with two equivalent Co(7)O6 octahedra. The corner-sharing octahedral tilt angles range from 6-19°. In the seventh Li site, Li(7) is bonded to one O(1), one O(17), two equivalent O(18), and two equivalent O(19) atoms to form LiO6 octahedra that share  a cornercorner with one Co(2)O6 octahedra,  a cornercorner with one Co(6)O6 octahedra, corners with four equivalent Co(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 Fe(3)O6 octahedra, edges with two equivalent Co(1)O6 octahedra, and edges with two equivalent Co(7)O6 octahedra. The corner-sharing octahedral tilt angles range from 6-7°. In the eighth Li site, Li(8) is bonded to one O(18), one O(3), two equivalent O(1), and two equivalent O(20) atoms to form LiO6 octahedra that share  a cornercorner with one Fe(3)O6 octahedra,  a cornercorner with one Co(3)O6 octahedra, corners with four equivalent Co(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 Co(1)O6 octahedra, edges with two equivalent Co(2)O6 octahedra, and edges with two equivalent Co(7)O6 octahedra. The corner-sharing octahedral tilt angles range from 4-10°. There are three inequivalent Fe sites. In the first Fe site, Fe(1) is bonded to one O(10), one O(6), two equivalent O(8), and two equivalent O(9) atoms to form FeO6 octahedra that share  a cornercorner with one Li(5)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(4)O6 octahedra, edges with two equivalent Fe(1)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 4-6°. In the second Fe site, Fe(2) is bonded to one O(11), one O(15), two equivalent O(12), and two equivalent O(13) atoms to form FeO6 octahedra that share  a cornercorner with one Li(3)O6 octahedra,  a cornercorner with one Li(6)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 Fe(2)O6 octahedra, edges with two equivalent Co(5)O6 octahedra, and edges with two equivalent Co(6)O6 octahedra. The corner-sharing octahedral tilt angles range from 4-19°. In the third Fe site, Fe(3) is bonded to one O(14), one O(18), two equivalent O(16), and two equivalent O(17) atoms to form FeO6 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(6)O6 octahedra, edges with two equivalent Li(7)O6 octahedra, edges with two equivalent Fe(3)O6 octahedra, edges with two equivalent Co(6)O6 octahedra, and edges with two equivalent Co(7)O6 octahedra. The corner-sharing octahedral tilt angles range from 4-19°. There are seven inequivalent Co sites. In the first Co site, Co(1) is bonded to one O(19), one O(2), two equivalent O(1), and two equivalent O(20) atoms to form CoO6 octahedra that share  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 Co(1)O6 octahedra, edges with two equivalent Co(2)O6 octahedra, and edges with two equivalent Co(7)O6 octahedra. The corner-sharing octahedral tilt angles range from 7-8°. In the second Co site, Co(2) is bonded to one O(1), one O(5), two equivalent O(2), and two equivalent O(3) 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(1)O6 octahedra, edges with two equivalent Li(1)O6 octahedra, edges with two equivalent Li(8)O6 octahedra, edges with two equivalent Co(1)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 7-21°. In the third Co site, Co(3) is bonded to one O(3), one O(7), two equivalent O(4), and two equivalent O(5) atoms to form CoO6 octahedra that share  a cornercorner with one Li(3)O6 octahedra,  a cornercorner with one Li(8)O6 octahedra, edges with two equivalent Li(1)O6 octahedra, edges with two equivalent Li(2)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 9-10°. In the fourth Co site, Co(4) is bonded to one O(4), one O(8), two equivalent O(6), and two equivalent O(7) atoms to form CoO6 octahedra that share  a cornercorner with one Li(1)O6 octahedra,  a cornercorner with one Li(4)O6 octahedra, corners with four equivalent Li(2)O6 octahedra, edges with two equivalent Li(2)O6 octahedra, edges with two equivalent Li(3)O6 octahedra, edges with two equivalent Fe(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 3-20°. In the fifth Co site, Co(5) is bonded to one O(12), one O(9), two equivalent O(10), and two equivalent O(11) atoms to form CoO6 octahedra that share  a cornercorner with one Li(2)O6 octahedra, corners with four equivalent Li(4)O6 octahedra, edges with two equivalent Li(3)O6 octahedra, edges with two equivalent Li(4)O6 octahedra, edges with two equivalent Li(5)O6 octahedra, edges with two equivalent Fe(1)O6 octahedra, edges with two equivalent Fe(2)O6 octahedra, and edges with two equivalent Co(5)O6 octahedra. The corner-sharing octahedral tilt angles range from 2-6°. In the sixth Co site, Co(6) is bonded to one O(13), one O(17), two equivalent O(14), and two equivalent O(15) atoms to form CoO6 octahedra that share  a cornercorner with one Li(4)O6 octahedra,  a cornercorner with one Li(7)O6 octahedra, edges with two equivalent Li(5)O6 octahedra, edges with two equivalent Li(6)O6 octahedra, edges with two equivalent Fe(2)O6 octahedra, edges with two equivalent Fe(3)O6 octahedra, and edges with two equivalent Co(6)O6 octahedra. The corner-sharing octahedral tilt angles range from 6-7°. In the seventh Co site, Co(7) is bonded to one O(16), one O(20), two equivalent O(18), and two equivalent O(19) atoms to form CoO6 octahedra that share  a cornercorner with one Li(1)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 Fe(3)O6 octahedra, edges with two equivalent Co(1)O6 octahedra, and edges with two equivalent Co(7)O6 octahedra. The corner-sharing octahedral tilt angles range from 3-7°. There are twenty inequivalent O sites. In the first O site, O(1) is bonded to one Li(7), two equivalent Li(8), one Co(2), and two equivalent Co(1) atoms to form OLi3Co3 octahedra that share  a cornercorner with one O(17)Li3Fe2Co octahedra, corners with four equivalent O(20)Li3Co3 octahedra,  a cornercorner with one O(5)LiCo3 trigonal pyramid, edges with two equivalent O(1)Li3Co3 octahedra, edges with two equivalent O(19)Li3Co3 octahedra, edges with two equivalent O(20)Li3Co3 octahedra, edges with two equivalent O(3)Li3Co3 octahedra, edges with two equivalent O(18)Li3FeCo2 octahedra, and edges with two equivalent O(2)Li2Co3 square pyramids. The corner-sharing octahedral tilt angles are 1°. In the second O site, O(2) is bonded to two equivalent Li(1), one Co(1), and two equivalent Co(2) atoms to form OLi2Co3 square pyramids that share  a cornercorner with one O(19)Li3Co3 octahedra, corners with four equivalent O(3)Li3Co3 octahedra, corners with two equivalent O(4)LiCo3 trigonal pyramids, corners with two equivalent O(5)LiCo3 trigonal pyramids, edges with two equivalent O(1)Li3Co3 octahedra, edges with two equivalent O(20)Li3Co3 octahedra, edges with two equivalent O(3)Li3Co3 octahedra, and edges with two equivalent O(2)Li2Co3 square pyramids. The corner-sharing octahedral tilt angles range from 0-11°. In the third O site, O(3) is bonded to one Li(8), two equivalent Li(1), one Co(3), 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(18)Li3FeCo2 octahedra, corners with four equivalent O(2)Li2Co3 square pyramids, edges with two equivalent O(1)Li3Co3 octahedra, edges with two equivalent O(20)Li3Co3 octahedra, edges with two equivalent O(3)Li3Co3 octahedra, edges with two equivalent O(2)Li2Co3 square pyramids, edges with two equivalent O(4)LiCo3 trigonal pyramids, and edges with two equivalent O(5)LiCo3 trigonal pyramids. The corner-sharing octahedral tilt angles range from 0-2°. In the fourth O site, O(4) is bonded to one Li(1), one Co(4), and two equivalent Co(3) atoms to form OLiCo3 trigonal pyramids that share  a cornercorner with one O(20)Li3Co3 octahedra,  a cornercorner with one O(8)Li3Fe2Co octahedra, corners with two equivalent O(2)Li2Co3 square pyramids, corners with two equivalent O(6)Li2FeCo2 square pyramids, corners with two equivalent O(4)LiCo3 trigonal pyramids, corners with two equivalent O(5)LiCo3 trigonal pyramids, edges with two equivalent O(3)Li3Co3 octahedra, edges with two equivalent O(7)Li3Co3 octahedra, and  an edgeedge with one O(5)LiCo3 trigonal pyramid. The corner-sharing octahedral tilt angles range from 5-16°. In the fifth O site, O(5) is bonded to one Li(2), one Co(2), and two equivalent Co(3) atoms to form OLiCo3 trigonal pyramids that share  a cornercorner with one O(1)Li3Co3 octahedra,  a cornercorner with one O(9)Li3Fe2Co octahedra, corners with two equivalent O(2)Li2Co3 square pyramids, corners with two equivalent O(6)Li2FeCo2 square pyramids, corners with two equivalent O(4)LiCo3 trigonal pyramids, corners with two equivalent O(5)LiCo3 trigonal pyramids, edges with two equivalent O(3)Li3Co3 octahedra, edges with two equivalent O(7)Li3Co3 octahedra, and  an edgeedge with one O(4)LiCo3 trigonal pyramid. The corner-sharing octahedral tilt angles range from 3-19°. In the sixth O site, O(6) is bonded to two equivalent Li(2), one Fe(1), and two equivalent Co(4) atoms to form OLi2FeCo2 square pyramids that share  a cornercorner with one O(10)Li3FeCo2 octahedra, corners with four equivalent O(7)Li3Co3 octahedra, corners with two equivalent O(4)LiCo3 trigonal pyramids, corners with two equivalent O(5)LiCo3 trigonal pyramids, edges with two equivalent O(7)Li3Co3 octahedra, edges with two equivalent O(8)Li3Fe2Co octahedra, edges with two equivalent O(9)Li3Fe2Co octahedra, and edges with two equivalent O(6)Li2FeCo2 square pyramids. The corner-sharing octahedral tilt angles range from 1-10°. In the seventh O site, O(7) is bonded to one Li(3), two equivalent Li(2), one Co(3), and two equivalent Co(4) atoms to form OLi3Co3 octahedra that share  a cornercorner with one O(3)Li3Co3 octahedra,  a cornercorner with one O(11)Li3FeCo2 octahedra, corners with four equivalent O(6)Li2FeCo2 square pyramids, edges with two equivalent O(7)Li3Co3 octahedra, edges with two equivalent O(8)Li3Fe2Co octahedra, edges with two equivalent O(9)Li3Fe2Co octahedra, edges with two equivalent O(6)Li2FeCo2 square pyramids, edges with two equivalent O(4)LiCo3 trigonal pyramids, and edges with two equivalent O(5)LiCo3 trigonal pyramids. The corner-sharing octahedral tilt angles range from 0-1°. In the eighth O site, O(8) is bonded to one Li(4), two equivalent Li(3), two equivalent Fe(1), and one Co(4) atom to form OLi3Fe2Co octahedra that share  a cornercorner with one O(13)Li3Fe2Co octahedra, corners with four equivalent O(9)Li3Fe2Co octahedra,  a cornercorner with one O(4)LiCo3 trigonal pyramid, edges with two equivalent O(7)Li3Co3 octahedra, edges with two equivalent O(8)Li3Fe2Co octahedra, edges with two equivalent O(9)Li3Fe2Co octahedra, edges with two equivalent O(10)Li3FeCo2 octahedra, edges with two equivalent O(11)Li3FeCo2 octahedra, and edges with two equivalent O(6)Li2FeCo2 square pyramids. The corner-sharing octahedral tilt angles range from 1-2°. In the ninth O site, O(9) is bonded to one Li(2), two equivalent Li(3), two equivalent Fe(1), and one Co(5) atom to form OLi3Fe2Co octahedra that share corners with four equivalent O(8)Li3Fe2Co octahedra,  a cornercorner with one O(12)Li2Fe2Co square pyramid,  a cornercorner with one O(5)LiCo3 trigonal pyramid, edges with two equivalent O(7)Li3Co3 octahedra, edges with two equivalent O(8)Li3Fe2Co octahedra, edges with two equivalent O(9)Li3Fe2Co octahedra, edges with two equivalent O(10)Li3FeCo2 octahedra, edges with two equivalent O(11)Li3FeCo2 octahedra, and edges with two equivalent O(6)Li2FeCo2 square pyramids. The corner-sharing octahedral tilt angles are 1°. In the tenth O site, O(10) is bonded to one Li(5), two equivalent Li(4), one Fe(1), and two equivalent Co(5) atoms to form OLi3FeCo2 octahedra that share corners with four equivalent O(11)Li3FeCo2 octahedra,  a cornercorner with one O(6)Li2FeCo2 square pyramid,  a cornercorner with one O(14)LiFeCo2 trigonal pyramid, edges with two equivalent O(13)Li3Fe2Co octahedra, edges with two equivalent O(8)Li3Fe2Co octahedra, edges with two equivalent O(9)Li3Fe2Co octahedra, edges with two equivalent O(10)Li3FeCo2 octahedra, edges with two equivalent O(11)Li3FeCo2 octahedra, and edges with two equivalent O(12)Li2Fe2Co square pyramids. The corner-sharing octahedral tilt angles range from 0-1°. In the eleventh O site, O(11) is bonded to one Li(3), two equivalent Li(4), one Fe(2), and two equivalent Co(5) atoms to form OLi3FeCo2 octahedra that share  a cornercorner with one O(7)Li3Co3 octahedra, corners with four equivalent O(10)Li3FeCo2 octahedra,  a cornercorner with one O(15)LiFeCo2 trigonal pyramid, edges with two equivalent O(13)Li3Fe2Co octahedra, edges with two equivalent O(8)Li3Fe2Co octahedra, edges with two equivalent O(9)Li3Fe2Co octahedra, edges with two equivalent O(10)Li3FeCo2 octahedra, edges with two equivalent O(11)Li3FeCo2 octahedra, and edges with two equivalent O(12)Li2Fe2Co square pyramids. The corner-sharing octahedral tilt angles range from 0-1°. In the twelfth O site, O(12) is bonded to two equivalent Li(5), two equivalent Fe(2), and one Co(5) atom to form OLi2Fe2Co square pyramids that share  a cornercorner with one O(9)Li3Fe2Co octahedra, corners with four equivalent O(13)Li3Fe2Co octahedra, corners with two equivalent O(14)LiFeCo2 trigonal pyramids, corners with two equivalent O(15)LiFeCo2 trigonal pyramids, edges with two equivalent O(13)Li3Fe2Co octahedra, edges with two equivalent O(10)Li3FeCo2 octahedra, edges with two equivalent O(11)Li3FeCo2 octahedra, and edges with two equivalent O(12)Li2Fe2Co square pyramids. The corner-sharing octahedral tilt angles range from 1-6°. In the thirteenth O site, O(13) is bonded to one Li(4), two equivalent Li(5), two equivalent Fe(2), and one Co(6) atom to form OLi3Fe2Co octahedra that share  a cornercorner with one O(17)Li3Fe2Co octahedra,  a cornercorner with one O(8)Li3Fe2Co octahedra, corners with four equivalent O(12)Li2Fe2Co square pyramids, edges with two equivalent O(13)Li3Fe2Co octahedra, edges with two equivalent O(10)Li3FeCo2 octahedra, edges with two equivalent O(11)Li3FeCo2 octahedra, edges with two equivalent O(12)Li2Fe2Co square pyramids, edges with two equivalent O(14)LiFeCo2 trigonal pyramids, and edges with two equivalent O(15)LiFeCo2 trigonal pyramids. The corner-sharing octahedral tilt angles range from 0-2°. In the fourteenth O site, O(14) is bonded to one Li(5), one Fe(3), and two equivalent Co(6) atoms to form OLiFeCo2 trigonal pyramids that share  a cornercorner with one O(10)Li3FeCo2 octahedra,  a cornercorner with one O(18)Li3FeCo2 octahedra, corners with two equivalent O(12)Li2Fe2Co square pyramids, corners with two equivalent O(16)Li2Fe2Co square pyramids, corners with two equivalent O(14)LiFeCo2 trigonal pyramids, corners with two equivalent O(15)LiFeCo2 trigonal pyramids, edges with two equivalent O(13)Li3Fe2Co octahedra, edges with two equivalent O(17)Li3Fe2Co octahedra, and  an edgeedge with one O(15)LiFeCo2 trigonal pyramid. The corner-sharing octahedral tilt angles range from 7-9°. In the fifteenth O site, O(15) is bonded to one Li(6), one Fe(2), and two equivalent Co(6) atoms to form OLiFeCo2 trigonal pyramids that share  a cornercorner with one O(19)Li3Co3 octahedra,  a cornercorner with one O(11)Li3FeCo2 octahedra, corners with two equivalent O(12)Li2Fe2Co square pyramids, corners with two equivalent O(16)Li2Fe2Co square pyramids, corners with two equivalent O(14)LiFeCo2 trigonal pyramids, corners with two equivalent O(15)LiFeCo2 trigonal pyramids, edges with two equivalent O(13)Li3Fe2Co octahedra, edges with two equivalent O(17)Li3Fe2Co octahedra, and  an edgeedge with one O(14)LiFeCo2 trigonal pyramid. The corner-sharing octahedral tilt angles range from 7-9°. In the sixteenth O site, O(16) is bonded to two equivalent Li(6), two equivalent Fe(3), and one Co(7) atom to form OLi2Fe2Co square pyramids that share  a cornercorner with one O(20)Li3Co3 octahedra, corners with four equivalent O(17)Li3Fe2Co octahedra, corners with two equivalent O(14)LiFeCo2 trigonal pyramids, corners with two equivalent O(15)LiFeCo2 trigonal pyramids, edges with two equivalent O(19)Li3Co3 octahedra, edges with two equivalent O(17)Li3Fe2Co octahedra, edges with two equivalent O(18)Li3FeCo2 octahedra, and edges with two equivalent O(16)Li2Fe2Co square pyramids. The corner-sharing octahedral tilt angles range from 3-7°. In the seventeenth O site, O(17) is bonded to one Li(7), two equivalent Li(6), two equivalent Fe(3), and one Co(6) atom to form OLi3Fe2Co octahedra that share  a cornercorner with one O(1)Li3Co3 octahedra,  a cornercorner with one O(13)Li3Fe2Co octahedra, corners with four equivalent O(16)Li2Fe2Co square pyramids, edges with two equivalent O(19)Li3Co3 octahedra, edges with two equivalent O(17)Li3Fe2Co octahedra, edges with two equivalent O(18)Li3FeCo2 octahedra, edges with two equivalent O(16)Li2Fe2Co square pyramids, edges with two equivalent O(14)LiFeCo2 trigonal pyramids, and edges with two equivalent O(15)LiFeCo2 trigonal pyramids. The corner-sharing octahedral tilt angles range from 0-1°. In the eighteenth O site, O(18) is bonded to one Li(8), two equivalent Li(7), one Fe(3), and two equivalent Co(7) atoms to form OLi3FeCo2 octahedra that share  a cornercorner with one O(3)Li3Co3 octahedra, corners with four equivalent O(19)Li3Co3 octahedra,  a cornercorner with one O(14)LiFeCo2 trigonal pyramid, edges with two equivalent O(1)Li3Co3 octahedra, edges with two equivalent O(19)Li3Co3 octahedra, edges with two equivalent O(20)Li3Co3 octahedra, edges with two equivalent O(17)Li3Fe2Co octahedra, edges with two equivalent O(18)Li3FeCo2 octahedra, and edges with two equivalent O(16)Li2Fe2Co square pyramids. The corner-sharing octahedral tilt angles range from 1-2°. In the nineteenth O site, O(19) is bonded to one Li(6), two equivalent Li(7), one Co(1), and two equivalent Co(7) atoms to form OLi3Co3 octahedra that share corners with four equivalent O(18)Li3FeCo2 octahedra,  a cornercorner with one O(2)Li2Co3 square pyramid,  a cornercorner with one O(15)LiFeCo2 trigonal pyramid, edges with two equivalent O(1)Li3Co3 octahedra, edges with two equivalent O(19)Li3Co3 octahedra, edges with two equivalent O(20)Li3Co3 octahedra, edges with two equivalent O(17)Li3Fe2Co octahedra, edges with two equivalent O(18)Li3FeCo2 octahedra, and edges with two equivalent O(16)Li2Fe2Co square pyramids. The corner-sharing octahedral tilt angles are 1°. In the twentieth O site, O(20) is bonded to one Li(1), two equivalent Li(8), one Co(7), and two equivalent Co(1) atoms to form OLi3Co3 octahedra that share corners with four equivalent O(1)Li3Co3 octahedra,  a cornercorner with one O(16)Li2Fe2Co square pyramid,  a cornercorner with one O(4)LiCo3 trigonal pyramid, edges with two equivalent O(1)Li3Co3 octahedra, edges with two equivalent O(19)Li3Co3 octahedra, edges with two equivalent O(20)Li3Co3 octahedra, edges with two equivalent O(3)Li3Co3 octahedra, edges with two equivalent O(18)Li3FeCo2 octahedra, and edges with two equivalent O(2)Li2Co3 square pyramids. The corner-sharing octahedral tilt angles are 1°. is represented by the Crystallographic Information File (CIF) [CIF]
data_Li8Fe3Co7O20
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   20.508
_cell_length_b   2.876
_cell_length_c   5.920
_cell_angle_alpha   90.000
_cell_angle_beta   83.149
_cell_angle_gamma   90.000
_symmetry_Int_Tables_number   1
_cell_volume   346.736
_cell_formula_units_Z   1
loop_
 _symmetry_equiv_pos_site_id
 _symmetry_equiv_pos_as_xyz
  1  'x, y, z'
loop_
 _atom_site_type_symbol
 _atom_site_label
 _atom_site_symmetry_multiplicity
 _atom_site_fract_x
 _atom_site_fract_y
 _atom_site_fract_z
 _atom_site_occupancy
  Li  Li0  1  0.107  0.500  0.240  1.0
  Li  Li1  1  0.289  0.500  0.563  1.0
  Li  Li2  1  0.398  0.000  0.795  1.0
  Li  Li3  1  0.500  0.500  0.999  1.0
  Li  Li4  1  0.603  0.000  0.211  1.0
  Li  Li5  1  0.797  0.000  0.589  1.0
  Li  Li6  1  0.903  0.500  0.795  1.0
  Li  Li7  1  0.002  0.000  0.006  1.0
  Fe  Fe8  1  0.398  0.000  0.298  1.0
  Fe  Fe9  1  0.602  0.000  0.681  1.0
  Fe  Fe10  1  0.800  0.000  0.118  1.0
  Co  Co11  1  0.002  0.000  0.504  1.0
  Co  Co12  1  0.101  0.500  0.701  1.0
  Co  Co13  1  0.198  0.000  0.902  1.0
  Co  Co14  1  0.297  0.500  0.097  1.0
  Co  Co15  1  0.498  0.500  0.499  1.0
  Co  Co16  1  0.701  0.500  0.900  1.0
  Co  Co17  1  0.904  0.500  0.302  1.0
  O  O18  1  0.005  0.500  0.725  1.0
  O  O19  1  0.095  0.000  0.486  1.0
  O  O20  1  0.105  0.000  0.923  1.0
  O  O21  1  0.203  0.500  0.109  1.0
  O  O22  1  0.195  0.500  0.694  1.0
  O  O23  1  0.300  0.000  0.316  1.0
  O  O24  1  0.291  0.000  0.878  1.0
  O  O25  1  0.394  0.500  0.059  1.0
  O  O26  1  0.401  0.500  0.537  1.0
  O  O27  1  0.498  0.000  0.274  1.0
  O  O28  1  0.501  0.000  0.724  1.0
  O  O29  1  0.593  0.500  0.456  1.0
  O  O30  1  0.607  0.500  0.928  1.0
  O  O31  1  0.701  0.000  0.109  1.0
  O  O32  1  0.700  0.000  0.690  1.0
  O  O33  1  0.808  0.500  0.343  1.0
  O  O34  1  0.795  0.500  0.872  1.0
  O  O35  1  0.901  0.000  0.074  1.0
  O  O36  1  0.906  0.000  0.522  1.0
  O  O37  1  0.999  0.500  0.281  1.0
[/CIF]
.