The material structure described by Li4Fe3CoO8 is alpha Po-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(10), one O(12), one O(14), one O(15), one O(5), and one O(7) atom to form LiO6 octahedra that share corners with two equivalent Co(1)O6 octahedra, corners with four equivalent Co(2)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 Li(8)O6 octahedra,  an edgeedge with one Fe(1)O6 octahedra,  an edgeedge with one Fe(3)O6 octahedra,  an edgeedge with one Fe(4)O6 octahedra,  an edgeedge with one Fe(6)O6 octahedra, edges with two equivalent Li(6)O6 octahedra, and edges with two equivalent Fe(5)O6 octahedra. The corner-sharing octahedral tilt angles range from 4-5°. In the second Li site, Li(2) is bonded to one O(11), one O(13), one O(16), one O(6), one O(8), and one O(9) atom to form LiO6 octahedra that share corners with two equivalent Co(2)O6 octahedra, corners with four 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 Li(8)O6 octahedra,  an edgeedge with one Fe(1)O6 octahedra,  an edgeedge with one Fe(3)O6 octahedra,  an edgeedge with one Fe(4)O6 octahedra,  an edgeedge with one Fe(6)O6 octahedra, edges with two equivalent Li(5)O6 octahedra, and edges with two equivalent Fe(2)O6 octahedra. The corner-sharing octahedral tilt angles range from 4-5°. In the third Li site, Li(3) is bonded to one O(13), one O(15), one O(2), one O(4), one O(7), and one O(9) atom to form LiO6 octahedra that share corners with two equivalent Fe(4)O6 octahedra, corners with four equivalent Fe(1)O6 octahedra,  an edgeedge with one Li(1)O6 octahedra,  an edgeedge with one Li(2)O6 octahedra,  an edgeedge with one Li(5)O6 octahedra,  an edgeedge with one Li(6)O6 octahedra,  an edgeedge with one Fe(2)O6 octahedra,  an edgeedge with one Fe(5)O6 octahedra,  an edgeedge with one Co(1)O6 octahedra,  an edgeedge with one Co(2)O6 octahedra, edges with two equivalent Li(8)O6 octahedra, and edges with two equivalent Fe(3)O6 octahedra. The corner-sharing octahedral tilt angles range from 4-8°. In the fourth Li site, Li(4) is bonded to one O(1), one O(10), one O(14), one O(16), one O(3), and one O(8) atom to form LiO6 octahedra that share corners with two equivalent Fe(1)O6 octahedra, corners with four equivalent Fe(4)O6 octahedra,  an edgeedge with one Li(1)O6 octahedra,  an edgeedge with one Li(2)O6 octahedra,  an edgeedge with one Li(5)O6 octahedra,  an edgeedge with one Li(6)O6 octahedra,  an edgeedge with one Fe(2)O6 octahedra,  an edgeedge with one Fe(5)O6 octahedra,  an edgeedge with one Co(1)O6 octahedra,  an edgeedge with one Co(2)O6 octahedra, edges with two equivalent Li(7)O6 octahedra, and edges with two equivalent Fe(6)O6 octahedra. The corner-sharing octahedral tilt angles range from 4-8°. In the fifth Li site, Li(5) is bonded to one O(1), one O(11), one O(16), one O(4), one O(6), and one O(9) atom to form LiO6 octahedra that share corners with two equivalent Fe(5)O6 octahedra, corners with four equivalent Fe(2)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 Li(8)O6 octahedra,  an edgeedge with one Fe(1)O6 octahedra,  an edgeedge with one Fe(3)O6 octahedra,  an edgeedge with one Fe(4)O6 octahedra,  an edgeedge with one Fe(6)O6 octahedra, edges with two equivalent Li(2)O6 octahedra, and edges with two equivalent Co(1)O6 octahedra. The corner-sharing octahedral tilt angles range from 4-5°. In the sixth Li site, Li(6) is bonded to one O(10), one O(12), one O(15), one O(2), one O(3), and one O(5) atom to form LiO6 octahedra that share corners with two equivalent Fe(2)O6 octahedra, corners with four equivalent Fe(5)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 Li(8)O6 octahedra,  an edgeedge with one Fe(1)O6 octahedra,  an edgeedge with one Fe(3)O6 octahedra,  an edgeedge with one Fe(4)O6 octahedra,  an edgeedge with one Fe(6)O6 octahedra, edges with two equivalent Li(1)O6 octahedra, and edges with two equivalent Co(2)O6 octahedra. The corner-sharing octahedral tilt angles range from 3-5°. In the seventh Li site, Li(7) is bonded to one O(1), one O(11), one O(14), one O(3), one O(5), and one O(8) atom to form LiO6 octahedra that share corners with two equivalent Fe(3)O6 octahedra, corners with four equivalent Fe(6)O6 octahedra,  an edgeedge with one Li(1)O6 octahedra,  an edgeedge with one Li(2)O6 octahedra,  an edgeedge with one Li(5)O6 octahedra,  an edgeedge with one Li(6)O6 octahedra,  an edgeedge with one Fe(2)O6 octahedra,  an edgeedge with one Fe(5)O6 octahedra,  an edgeedge with one Co(1)O6 octahedra,  an edgeedge with one Co(2)O6 octahedra, edges with two equivalent Li(4)O6 octahedra, and edges with two equivalent Fe(4)O6 octahedra. The corner-sharing octahedral tilt angles range from 4-8°. In the eighth Li site, Li(8) is bonded to one O(12), one O(13), one O(2), one O(4), one O(6), and one O(7) atom to form LiO6 octahedra that share corners with two equivalent Fe(6)O6 octahedra, corners with four equivalent Fe(3)O6 octahedra,  an edgeedge with one Li(1)O6 octahedra,  an edgeedge with one Li(2)O6 octahedra,  an edgeedge with one Li(5)O6 octahedra,  an edgeedge with one Li(6)O6 octahedra,  an edgeedge with one Fe(2)O6 octahedra,  an edgeedge with one Fe(5)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, and edges with two equivalent Fe(1)O6 octahedra. The corner-sharing octahedral tilt angles range from 4-8°. There are six inequivalent Fe sites. In the first Fe site, Fe(1) is bonded to one O(10), one O(13), one O(16), one O(2), one O(4), and one O(7) atom to form FeO6 octahedra that share corners with two equivalent Li(4)O6 octahedra, corners with four equivalent Li(3)O6 octahedra,  an edgeedge with one Li(1)O6 octahedra,  an edgeedge with one Li(2)O6 octahedra,  an edgeedge with one Li(5)O6 octahedra,  an edgeedge with one Li(6)O6 octahedra,  an edgeedge with one Fe(2)O6 octahedra,  an edgeedge with one Fe(5)O6 octahedra,  an edgeedge with one Co(1)O6 octahedra,  an edgeedge with one Co(2)O6 octahedra, edges with two equivalent Li(8)O6 octahedra, and edges with two equivalent Fe(3)O6 octahedra. The corner-sharing octahedral tilt angles range from 4-8°. In the second Fe site, Fe(2) is bonded to one O(11), one O(16), one O(2), one O(3), one O(6), and one O(9) atom to form FeO6 octahedra that share corners with two equivalent Li(6)O6 octahedra, corners with four equivalent Li(5)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 Li(8)O6 octahedra,  an edgeedge with one Fe(1)O6 octahedra,  an edgeedge with one Fe(3)O6 octahedra,  an edgeedge with one Fe(4)O6 octahedra,  an edgeedge with one Fe(6)O6 octahedra, edges with two equivalent Li(2)O6 octahedra, and edges with two equivalent Co(1)O6 octahedra. The corner-sharing octahedral tilt angles range from 4-5°. In the third Fe site, Fe(3) is bonded to one O(11), one O(13), one O(2), one O(4), one O(5), and one O(7) atom to form FeO6 octahedra that share corners with two equivalent Li(7)O6 octahedra, corners with four equivalent Li(8)O6 octahedra,  an edgeedge with one Li(1)O6 octahedra,  an edgeedge with one Li(2)O6 octahedra,  an edgeedge with one Li(5)O6 octahedra,  an edgeedge with one Li(6)O6 octahedra,  an edgeedge with one Fe(2)O6 octahedra,  an edgeedge with one Fe(5)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, and edges with two equivalent Fe(1)O6 octahedra. The corner-sharing octahedral tilt angles range from 4-8°. In the fourth Fe site, Fe(4) is bonded to one O(1), one O(14), one O(15), one O(3), one O(8), and one O(9) atom to form FeO6 octahedra that share corners with two equivalent Li(3)O6 octahedra, corners with four equivalent Li(4)O6 octahedra,  an edgeedge with one Li(1)O6 octahedra,  an edgeedge with one Li(2)O6 octahedra,  an edgeedge with one Li(5)O6 octahedra,  an edgeedge with one Li(6)O6 octahedra,  an edgeedge with one Fe(2)O6 octahedra,  an edgeedge with one Fe(5)O6 octahedra,  an edgeedge with one Co(1)O6 octahedra,  an edgeedge with one Co(2)O6 octahedra, edges with two equivalent Li(7)O6 octahedra, and edges with two equivalent Fe(6)O6 octahedra. The corner-sharing octahedral tilt angles range from 4-8°. In the fifth Fe site, Fe(5) is bonded to one O(1), one O(10), one O(12), one O(15), one O(4), and one O(5) atom to form FeO6 octahedra that share corners with two equivalent Li(5)O6 octahedra, corners with four equivalent Li(6)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 Li(8)O6 octahedra,  an edgeedge with one Fe(1)O6 octahedra,  an edgeedge with one Fe(3)O6 octahedra,  an edgeedge with one Fe(4)O6 octahedra,  an edgeedge with one Fe(6)O6 octahedra, edges with two equivalent Li(1)O6 octahedra, and edges with two equivalent Co(2)O6 octahedra. The corner-sharing octahedral tilt angles range from 3-5°. In the sixth Fe site, Fe(6) is bonded to one O(1), one O(12), one O(14), one O(3), one O(6), and one O(8) atom to form FeO6 octahedra that share corners with two equivalent Li(8)O6 octahedra, corners with four equivalent Li(7)O6 octahedra,  an edgeedge with one Li(1)O6 octahedra,  an edgeedge with one Li(2)O6 octahedra,  an edgeedge with one Li(5)O6 octahedra,  an edgeedge with one Li(6)O6 octahedra,  an edgeedge with one Fe(2)O6 octahedra,  an edgeedge with one Fe(5)O6 octahedra,  an edgeedge with one Co(1)O6 octahedra,  an edgeedge with one Co(2)O6 octahedra, edges with two equivalent Li(4)O6 octahedra, and edges with two equivalent Fe(4)O6 octahedra. The corner-sharing octahedral tilt angles range from 4-8°. There are two inequivalent Co sites. In the first Co site, Co(1) is bonded to one O(11), one O(14), one O(16), 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 four equivalent 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(7)O6 octahedra,  an edgeedge with one Li(8)O6 octahedra,  an edgeedge with one Fe(1)O6 octahedra,  an edgeedge with one Fe(3)O6 octahedra,  an edgeedge with one Fe(4)O6 octahedra,  an edgeedge with one Fe(6)O6 octahedra, edges with two equivalent Li(5)O6 octahedra, and edges with two equivalent Fe(2)O6 octahedra. The corner-sharing octahedral tilt angles range from 4-5°. In the second Co site, Co(2) is bonded to one O(10), one O(12), one O(13), one O(15), one O(5), and one O(8) atom to form CoO6 octahedra that share corners with two equivalent Li(2)O6 octahedra, corners with four equivalent Li(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 Li(8)O6 octahedra,  an edgeedge with one Fe(1)O6 octahedra,  an edgeedge with one Fe(3)O6 octahedra,  an edgeedge with one Fe(4)O6 octahedra,  an edgeedge with one Fe(6)O6 octahedra, edges with two equivalent Li(6)O6 octahedra, and edges with two equivalent Fe(5)O6 octahedra. The corner-sharing octahedral tilt angles range from 4-5°. There are sixteen inequivalent O sites. In the first O site, O(1) is bonded to one Li(4), one Li(5), one Li(7), one Fe(4), one Fe(5), and one Fe(6) atom to form OLi3Fe3 octahedra that share corners with two equivalent O(4)Li3Fe3 octahedra, corners with four equivalent O(3)Li3Fe3 octahedra,  an edgeedge with one O(10)Li3Fe2Co octahedra,  an edgeedge with one O(11)Li3Fe2Co octahedra,  an edgeedge with one O(12)Li3Fe2Co octahedra,  an edgeedge with one O(15)Li3Fe2Co octahedra,  an edgeedge with one O(16)Li3Fe2Co octahedra,  an edgeedge with one O(5)Li3Fe2Co octahedra,  an edgeedge with one O(6)Li3Fe2Co octahedra,  an edgeedge with one O(9)Li3Fe2Co octahedra, edges with two equivalent O(14)Li3Fe2Co octahedra, and edges with two equivalent O(8)Li3Fe2Co octahedra. The corner-sharing octahedral tilt angles range from 0-1°. In the second O site, O(2) is bonded to one Li(3), one Li(6), one Li(8), one Fe(1), one Fe(2), and one Fe(3) atom to form OLi3Fe3 octahedra that share corners with two equivalent O(3)Li3Fe3 octahedra, corners with four equivalent O(4)Li3Fe3 octahedra,  an edgeedge with one O(10)Li3Fe2Co octahedra,  an edgeedge with one O(11)Li3Fe2Co octahedra,  an edgeedge with one O(12)Li3Fe2Co octahedra,  an edgeedge with one O(15)Li3Fe2Co octahedra,  an edgeedge with one O(16)Li3Fe2Co octahedra,  an edgeedge with one O(5)Li3Fe2Co octahedra,  an edgeedge with one O(6)Li3Fe2Co octahedra,  an edgeedge with one O(9)Li3Fe2Co octahedra, edges with two equivalent O(13)Li3Fe2Co octahedra, and edges with two equivalent O(7)Li3Fe2Co octahedra. The corner-sharing octahedral tilt angles range from 0-1°. In the third O site, O(3) is bonded to one Li(4), one Li(6), one Li(7), one Fe(2), one Fe(4), and one Fe(6) atom to form OLi3Fe3 octahedra that share corners with two equivalent O(2)Li3Fe3 octahedra, corners with four equivalent O(1)Li3Fe3 octahedra,  an edgeedge with one O(10)Li3Fe2Co octahedra,  an edgeedge with one O(11)Li3Fe2Co octahedra,  an edgeedge with one O(12)Li3Fe2Co octahedra,  an edgeedge with one O(15)Li3Fe2Co octahedra,  an edgeedge with one O(16)Li3Fe2Co octahedra,  an edgeedge with one O(5)Li3Fe2Co octahedra,  an edgeedge with one O(6)Li3Fe2Co octahedra,  an edgeedge with one O(9)Li3Fe2Co octahedra, edges with two equivalent O(14)Li3Fe2Co octahedra, and edges with two equivalent O(8)Li3Fe2Co octahedra. The corner-sharing octahedral tilt angles range from 0-1°. In the fourth O site, O(4) is bonded to one Li(3), one Li(5), one Li(8), one Fe(1), one Fe(3), and one Fe(5) atom to form OLi3Fe3 octahedra that share corners with two equivalent O(1)Li3Fe3 octahedra, corners with four equivalent O(2)Li3Fe3 octahedra,  an edgeedge with one O(10)Li3Fe2Co octahedra,  an edgeedge with one O(11)Li3Fe2Co octahedra,  an edgeedge with one O(12)Li3Fe2Co octahedra,  an edgeedge with one O(15)Li3Fe2Co octahedra,  an edgeedge with one O(16)Li3Fe2Co octahedra,  an edgeedge with one O(5)Li3Fe2Co octahedra,  an edgeedge with one O(6)Li3Fe2Co octahedra,  an edgeedge with one O(9)Li3Fe2Co octahedra, edges with two equivalent O(13)Li3Fe2Co octahedra, and edges with two equivalent O(7)Li3Fe2Co octahedra. The corner-sharing octahedral tilt angles range from 0-1°. In the fifth O site, O(5) is bonded to one Li(1), one Li(6), one Li(7), one Fe(3), one Fe(5), and one Co(2) atom to form OLi3Fe2Co octahedra that share corners with two equivalent O(11)Li3Fe2Co octahedra, corners with four equivalent O(12)Li3Fe2Co octahedra,  an edgeedge with one O(13)Li3Fe2Co octahedra,  an edgeedge with one O(14)Li3Fe2Co octahedra,  an edgeedge with one O(7)Li3Fe2Co octahedra,  an edgeedge with one O(8)Li3Fe2Co octahedra,  an edgeedge with one O(1)Li3Fe3 octahedra,  an edgeedge with one O(2)Li3Fe3 octahedra,  an edgeedge with one O(3)Li3Fe3 octahedra,  an edgeedge with one O(4)Li3Fe3 octahedra, edges with two equivalent O(10)Li3Fe2Co octahedra, and edges with two equivalent O(15)Li3Fe2Co octahedra. The corner-sharing octahedral tilt angles range from 0-1°. In the sixth O site, O(6) is bonded to one Li(2), one Li(5), one Li(8), one Fe(2), one Fe(6), and one Co(1) atom to form OLi3Fe2Co octahedra that share corners with two equivalent O(12)Li3Fe2Co octahedra, corners with four equivalent O(11)Li3Fe2Co octahedra,  an edgeedge with one O(13)Li3Fe2Co octahedra,  an edgeedge with one O(14)Li3Fe2Co octahedra,  an edgeedge with one O(7)Li3Fe2Co octahedra,  an edgeedge with one O(8)Li3Fe2Co octahedra,  an edgeedge with one O(1)Li3Fe3 octahedra,  an edgeedge with one O(2)Li3Fe3 octahedra,  an edgeedge with one O(3)Li3Fe3 octahedra,  an edgeedge with one O(4)Li3Fe3 octahedra, edges with two equivalent O(16)Li3Fe2Co octahedra, and edges with two equivalent O(9)Li3Fe2Co octahedra. The corner-sharing octahedral tilt angles range from 0-1°. In the seventh O site, O(7) is bonded to one Li(1), one Li(3), one Li(8), one Fe(1), one Fe(3), and one Co(1) atom to form OLi3Fe2Co octahedra that share corners with two equivalent O(14)Li3Fe2Co octahedra, corners with four equivalent O(13)Li3Fe2Co octahedra,  an edgeedge with one O(10)Li3Fe2Co octahedra,  an edgeedge with one O(11)Li3Fe2Co octahedra,  an edgeedge with one O(12)Li3Fe2Co octahedra,  an edgeedge with one O(15)Li3Fe2Co octahedra,  an edgeedge with one O(16)Li3Fe2Co octahedra,  an edgeedge with one O(5)Li3Fe2Co octahedra,  an edgeedge with one O(6)Li3Fe2Co octahedra,  an edgeedge with one O(9)Li3Fe2Co octahedra, edges with two equivalent O(2)Li3Fe3 octahedra, and edges with two equivalent O(4)Li3Fe3 octahedra. The corner-sharing octahedral tilt angles range from 0-1°. In the eighth O site, O(8) is bonded to one Li(2), one Li(4), one Li(7), one Fe(4), one Fe(6), and one Co(2) atom to form OLi3Fe2Co octahedra that share corners with two equivalent O(13)Li3Fe2Co octahedra, corners with four equivalent O(14)Li3Fe2Co octahedra,  an edgeedge with one O(10)Li3Fe2Co octahedra,  an edgeedge with one O(11)Li3Fe2Co octahedra,  an edgeedge with one O(12)Li3Fe2Co octahedra,  an edgeedge with one O(15)Li3Fe2Co octahedra,  an edgeedge with one O(16)Li3Fe2Co octahedra,  an edgeedge with one O(5)Li3Fe2Co octahedra,  an edgeedge with one O(6)Li3Fe2Co octahedra,  an edgeedge with one O(9)Li3Fe2Co octahedra, edges with two equivalent O(1)Li3Fe3 octahedra, and edges with two equivalent O(3)Li3Fe3 octahedra. The corner-sharing octahedral tilt angles range from 0-1°. In the ninth O site, O(9) is bonded to one Li(2), one Li(3), one Li(5), one Fe(2), one Fe(4), and one Co(1) atom to form OLi3Fe2Co octahedra that share corners with two equivalent O(15)Li3Fe2Co octahedra, corners with four equivalent O(16)Li3Fe2Co octahedra,  an edgeedge with one O(13)Li3Fe2Co octahedra,  an edgeedge with one O(14)Li3Fe2Co octahedra,  an edgeedge with one O(7)Li3Fe2Co octahedra,  an edgeedge with one O(8)Li3Fe2Co octahedra,  an edgeedge with one O(1)Li3Fe3 octahedra,  an edgeedge with one O(2)Li3Fe3 octahedra,  an edgeedge with one O(3)Li3Fe3 octahedra,  an edgeedge with one O(4)Li3Fe3 octahedra, edges with two equivalent O(11)Li3Fe2Co octahedra, and edges with two equivalent O(6)Li3Fe2Co octahedra. The corner-sharing octahedral tilt angles range from 0-1°. In the tenth O site, O(10) is bonded to one Li(1), one Li(4), one Li(6), one Fe(1), one Fe(5), and one Co(2) atom to form OLi3Fe2Co octahedra that share corners with two equivalent O(16)Li3Fe2Co octahedra, corners with four equivalent O(15)Li3Fe2Co octahedra,  an edgeedge with one O(13)Li3Fe2Co octahedra,  an edgeedge with one O(14)Li3Fe2Co octahedra,  an edgeedge with one O(7)Li3Fe2Co octahedra,  an edgeedge with one O(8)Li3Fe2Co octahedra,  an edgeedge with one O(1)Li3Fe3 octahedra,  an edgeedge with one O(2)Li3Fe3 octahedra,  an edgeedge with one O(3)Li3Fe3 octahedra,  an edgeedge with one O(4)Li3Fe3 octahedra, edges with two equivalent O(12)Li3Fe2Co octahedra, and edges with two equivalent O(5)Li3Fe2Co octahedra. The corner-sharing octahedral tilt angles range from 0-1°. In the eleventh O site, O(11) is bonded to one Li(2), one Li(5), one Li(7), one Fe(2), one Fe(3), and one Co(1) atom to form OLi3Fe2Co octahedra that share corners with two equivalent O(5)Li3Fe2Co octahedra, corners with four equivalent O(6)Li3Fe2Co octahedra,  an edgeedge with one O(13)Li3Fe2Co octahedra,  an edgeedge with one O(14)Li3Fe2Co octahedra,  an edgeedge with one O(7)Li3Fe2Co octahedra,  an edgeedge with one O(8)Li3Fe2Co octahedra,  an edgeedge with one O(1)Li3Fe3 octahedra,  an edgeedge with one O(2)Li3Fe3 octahedra,  an edgeedge with one O(3)Li3Fe3 octahedra,  an edgeedge with one O(4)Li3Fe3 octahedra, edges with two equivalent O(16)Li3Fe2Co octahedra, and edges with two equivalent O(9)Li3Fe2Co octahedra. The corner-sharing octahedral tilt angles range from 0-1°. In the twelfth O site, O(12) is bonded to one Li(1), one Li(6), one Li(8), one Fe(5), one Fe(6), and one Co(2) atom to form OLi3Fe2Co octahedra that share corners with two equivalent O(6)Li3Fe2Co octahedra, corners with four equivalent O(5)Li3Fe2Co octahedra,  an edgeedge with one O(13)Li3Fe2Co octahedra,  an edgeedge with one O(14)Li3Fe2Co octahedra,  an edgeedge with one O(7)Li3Fe2Co octahedra,  an edgeedge with one O(8)Li3Fe2Co octahedra,  an edgeedge with one O(1)Li3Fe3 octahedra,  an edgeedge with one O(2)Li3Fe3 octahedra,  an edgeedge with one O(3)Li3Fe3 octahedra,  an edgeedge with one O(4)Li3Fe3 octahedra, edges with two equivalent O(10)Li3Fe2Co octahedra, and edges with two equivalent O(15)Li3Fe2Co octahedra. The corner-sharing octahedral tilt angles range from 0-1°. In the thirteenth O site, O(13) is bonded to one Li(2), one Li(3), one Li(8), one Fe(1), one Fe(3), and one Co(2) atom to form OLi3Fe2Co octahedra that share corners with two equivalent O(8)Li3Fe2Co octahedra, corners with four equivalent O(7)Li3Fe2Co octahedra,  an edgeedge with one O(10)Li3Fe2Co octahedra,  an edgeedge with one O(11)Li3Fe2Co octahedra,  an edgeedge with one O(12)Li3Fe2Co octahedra,  an edgeedge with one O(15)Li3Fe2Co octahedra,  an edgeedge with one O(16)Li3Fe2Co octahedra,  an edgeedge with one O(5)Li3Fe2Co octahedra,  an edgeedge with one O(6)Li3Fe2Co octahedra,  an edgeedge with one O(9)Li3Fe2Co octahedra, edges with two equivalent O(2)Li3Fe3 octahedra, and edges with two equivalent O(4)Li3Fe3 octahedra. The corner-sharing octahedral tilt angles range from 0-1°. In the fourteenth O site, O(14) is bonded to one Li(1), one Li(4), one Li(7), one Fe(4), one Fe(6), and one Co(1) atom to form OLi3Fe2Co octahedra that share corners with two equivalent O(7)Li3Fe2Co octahedra, corners with four equivalent O(8)Li3Fe2Co octahedra,  an edgeedge with one O(10)Li3Fe2Co octahedra,  an edgeedge with one O(11)Li3Fe2Co octahedra,  an edgeedge with one O(12)Li3Fe2Co octahedra,  an edgeedge with one O(15)Li3Fe2Co octahedra,  an edgeedge with one O(16)Li3Fe2Co octahedra,  an edgeedge with one O(5)Li3Fe2Co octahedra,  an edgeedge with one O(6)Li3Fe2Co octahedra,  an edgeedge with one O(9)Li3Fe2Co octahedra, edges with two equivalent O(1)Li3Fe3 octahedra, and edges with two equivalent O(3)Li3Fe3 octahedra. The corner-sharing octahedral tilt angles range from 0-1°. In the fifteenth O site, O(15) is bonded to one Li(1), one Li(3), one Li(6), one Fe(4), one Fe(5), and one Co(2) atom to form OLi3Fe2Co octahedra that share corners with two equivalent O(9)Li3Fe2Co octahedra, corners with four equivalent O(10)Li3Fe2Co octahedra,  an edgeedge with one O(13)Li3Fe2Co octahedra,  an edgeedge with one O(14)Li3Fe2Co octahedra,  an edgeedge with one O(7)Li3Fe2Co octahedra,  an edgeedge with one O(8)Li3Fe2Co octahedra,  an edgeedge with one O(1)Li3Fe3 octahedra,  an edgeedge with one O(2)Li3Fe3 octahedra,  an edgeedge with one O(3)Li3Fe3 octahedra,  an edgeedge with one O(4)Li3Fe3 octahedra, edges with two equivalent O(12)Li3Fe2Co octahedra, and edges with two equivalent O(5)Li3Fe2Co octahedra. The corner-sharing octahedral tilt angles range from 0-1°. In the sixteenth O site, O(16) is bonded to one Li(2), one Li(4), one Li(5), one Fe(1), one Fe(2), and one Co(1) atom to form OLi3Fe2Co octahedra that share corners with two equivalent O(10)Li3Fe2Co octahedra, corners with four equivalent O(9)Li3Fe2Co octahedra,  an edgeedge with one O(13)Li3Fe2Co octahedra,  an edgeedge with one O(14)Li3Fe2Co octahedra,  an edgeedge with one O(7)Li3Fe2Co octahedra,  an edgeedge with one O(8)Li3Fe2Co octahedra,  an edgeedge with one O(1)Li3Fe3 octahedra,  an edgeedge with one O(2)Li3Fe3 octahedra,  an edgeedge with one O(3)Li3Fe3 octahedra,  an edgeedge with one O(4)Li3Fe3 octahedra, edges with two equivalent O(11)Li3Fe2Co octahedra, and edges with two equivalent O(6)Li3Fe2Co octahedra. The corner-sharing octahedra are not tilted. is represented by the CIF file [CIF]
data_Li4Fe3CoO8
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   5.923
_cell_length_b   5.951
_cell_length_c   5.957
_cell_angle_alpha   60.146
_cell_angle_beta   89.167
_cell_angle_gamma   119.416
_symmetry_Int_Tables_number   1
_cell_volume   149.033
_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
  Co  Co0  1  0.000  0.000  0.000  1.0
  Fe  Fe1  1  0.500  0.500  0.500  1.0
  Fe  Fe2  1  1.000  0.499  0.500  1.0
  Fe  Fe3  1  0.500  0.000  0.000  1.0
  Li  Li4  1  0.500  0.000  0.500  1.0
  Li  Li5  1  0.000  0.501  0.999  1.0
  Li  Li6  1  0.500  0.501  1.000  1.0
  Li  Li7  1  0.000  1.000  0.500  1.0
  O  O8  1  0.260  0.515  0.255  1.0
  O  O9  1  0.740  0.485  0.744  1.0
  O  O10  1  0.755  0.016  0.754  1.0
  O  O11  1  0.246  0.011  0.766  1.0
  O  O12  1  0.756  0.510  0.260  1.0
  O  O13  1  0.244  0.985  0.246  1.0
  O  O14  1  0.754  0.988  0.233  1.0
  O  O15  1  0.244  0.490  0.741  1.0
[/CIF]
.
The material structure described by Li4Fe3CoO8 is alpha Po-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(10), one O(12), one O(14), one O(15), one O(5), and one O(7) atom to form LiO6 octahedra that share corners with two equivalent Co(1)O6 octahedra, corners with four equivalent Co(2)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 Li(8)O6 octahedra,  an edgeedge with one Fe(1)O6 octahedra,  an edgeedge with one Fe(3)O6 octahedra,  an edgeedge with one Fe(4)O6 octahedra,  an edgeedge with one Fe(6)O6 octahedra, edges with two equivalent Li(6)O6 octahedra, and edges with two equivalent Fe(5)O6 octahedra. The corner-sharing octahedral tilt angles range from 4-5°. In the second Li site, Li(2) is bonded to one O(11), one O(13), one O(16), one O(6), one O(8), and one O(9) atom to form LiO6 octahedra that share corners with two equivalent Co(2)O6 octahedra, corners with four 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 Li(8)O6 octahedra,  an edgeedge with one Fe(1)O6 octahedra,  an edgeedge with one Fe(3)O6 octahedra,  an edgeedge with one Fe(4)O6 octahedra,  an edgeedge with one Fe(6)O6 octahedra, edges with two equivalent Li(5)O6 octahedra, and edges with two equivalent Fe(2)O6 octahedra. The corner-sharing octahedral tilt angles range from 4-5°. In the third Li site, Li(3) is bonded to one O(13), one O(15), one O(2), one O(4), one O(7), and one O(9) atom to form LiO6 octahedra that share corners with two equivalent Fe(4)O6 octahedra, corners with four equivalent Fe(1)O6 octahedra,  an edgeedge with one Li(1)O6 octahedra,  an edgeedge with one Li(2)O6 octahedra,  an edgeedge with one Li(5)O6 octahedra,  an edgeedge with one Li(6)O6 octahedra,  an edgeedge with one Fe(2)O6 octahedra,  an edgeedge with one Fe(5)O6 octahedra,  an edgeedge with one Co(1)O6 octahedra,  an edgeedge with one Co(2)O6 octahedra, edges with two equivalent Li(8)O6 octahedra, and edges with two equivalent Fe(3)O6 octahedra. The corner-sharing octahedral tilt angles range from 4-8°. In the fourth Li site, Li(4) is bonded to one O(1), one O(10), one O(14), one O(16), one O(3), and one O(8) atom to form LiO6 octahedra that share corners with two equivalent Fe(1)O6 octahedra, corners with four equivalent Fe(4)O6 octahedra,  an edgeedge with one Li(1)O6 octahedra,  an edgeedge with one Li(2)O6 octahedra,  an edgeedge with one Li(5)O6 octahedra,  an edgeedge with one Li(6)O6 octahedra,  an edgeedge with one Fe(2)O6 octahedra,  an edgeedge with one Fe(5)O6 octahedra,  an edgeedge with one Co(1)O6 octahedra,  an edgeedge with one Co(2)O6 octahedra, edges with two equivalent Li(7)O6 octahedra, and edges with two equivalent Fe(6)O6 octahedra. The corner-sharing octahedral tilt angles range from 4-8°. In the fifth Li site, Li(5) is bonded to one O(1), one O(11), one O(16), one O(4), one O(6), and one O(9) atom to form LiO6 octahedra that share corners with two equivalent Fe(5)O6 octahedra, corners with four equivalent Fe(2)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 Li(8)O6 octahedra,  an edgeedge with one Fe(1)O6 octahedra,  an edgeedge with one Fe(3)O6 octahedra,  an edgeedge with one Fe(4)O6 octahedra,  an edgeedge with one Fe(6)O6 octahedra, edges with two equivalent Li(2)O6 octahedra, and edges with two equivalent Co(1)O6 octahedra. The corner-sharing octahedral tilt angles range from 4-5°. In the sixth Li site, Li(6) is bonded to one O(10), one O(12), one O(15), one O(2), one O(3), and one O(5) atom to form LiO6 octahedra that share corners with two equivalent Fe(2)O6 octahedra, corners with four equivalent Fe(5)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 Li(8)O6 octahedra,  an edgeedge with one Fe(1)O6 octahedra,  an edgeedge with one Fe(3)O6 octahedra,  an edgeedge with one Fe(4)O6 octahedra,  an edgeedge with one Fe(6)O6 octahedra, edges with two equivalent Li(1)O6 octahedra, and edges with two equivalent Co(2)O6 octahedra. The corner-sharing octahedral tilt angles range from 3-5°. In the seventh Li site, Li(7) is bonded to one O(1), one O(11), one O(14), one O(3), one O(5), and one O(8) atom to form LiO6 octahedra that share corners with two equivalent Fe(3)O6 octahedra, corners with four equivalent Fe(6)O6 octahedra,  an edgeedge with one Li(1)O6 octahedra,  an edgeedge with one Li(2)O6 octahedra,  an edgeedge with one Li(5)O6 octahedra,  an edgeedge with one Li(6)O6 octahedra,  an edgeedge with one Fe(2)O6 octahedra,  an edgeedge with one Fe(5)O6 octahedra,  an edgeedge with one Co(1)O6 octahedra,  an edgeedge with one Co(2)O6 octahedra, edges with two equivalent Li(4)O6 octahedra, and edges with two equivalent Fe(4)O6 octahedra. The corner-sharing octahedral tilt angles range from 4-8°. In the eighth Li site, Li(8) is bonded to one O(12), one O(13), one O(2), one O(4), one O(6), and one O(7) atom to form LiO6 octahedra that share corners with two equivalent Fe(6)O6 octahedra, corners with four equivalent Fe(3)O6 octahedra,  an edgeedge with one Li(1)O6 octahedra,  an edgeedge with one Li(2)O6 octahedra,  an edgeedge with one Li(5)O6 octahedra,  an edgeedge with one Li(6)O6 octahedra,  an edgeedge with one Fe(2)O6 octahedra,  an edgeedge with one Fe(5)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, and edges with two equivalent Fe(1)O6 octahedra. The corner-sharing octahedral tilt angles range from 4-8°. There are six inequivalent Fe sites. In the first Fe site, Fe(1) is bonded to one O(10), one O(13), one O(16), one O(2), one O(4), and one O(7) atom to form FeO6 octahedra that share corners with two equivalent Li(4)O6 octahedra, corners with four equivalent Li(3)O6 octahedra,  an edgeedge with one Li(1)O6 octahedra,  an edgeedge with one Li(2)O6 octahedra,  an edgeedge with one Li(5)O6 octahedra,  an edgeedge with one Li(6)O6 octahedra,  an edgeedge with one Fe(2)O6 octahedra,  an edgeedge with one Fe(5)O6 octahedra,  an edgeedge with one Co(1)O6 octahedra,  an edgeedge with one Co(2)O6 octahedra, edges with two equivalent Li(8)O6 octahedra, and edges with two equivalent Fe(3)O6 octahedra. The corner-sharing octahedral tilt angles range from 4-8°. In the second Fe site, Fe(2) is bonded to one O(11), one O(16), one O(2), one O(3), one O(6), and one O(9) atom to form FeO6 octahedra that share corners with two equivalent Li(6)O6 octahedra, corners with four equivalent Li(5)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 Li(8)O6 octahedra,  an edgeedge with one Fe(1)O6 octahedra,  an edgeedge with one Fe(3)O6 octahedra,  an edgeedge with one Fe(4)O6 octahedra,  an edgeedge with one Fe(6)O6 octahedra, edges with two equivalent Li(2)O6 octahedra, and edges with two equivalent Co(1)O6 octahedra. The corner-sharing octahedral tilt angles range from 4-5°. In the third Fe site, Fe(3) is bonded to one O(11), one O(13), one O(2), one O(4), one O(5), and one O(7) atom to form FeO6 octahedra that share corners with two equivalent Li(7)O6 octahedra, corners with four equivalent Li(8)O6 octahedra,  an edgeedge with one Li(1)O6 octahedra,  an edgeedge with one Li(2)O6 octahedra,  an edgeedge with one Li(5)O6 octahedra,  an edgeedge with one Li(6)O6 octahedra,  an edgeedge with one Fe(2)O6 octahedra,  an edgeedge with one Fe(5)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, and edges with two equivalent Fe(1)O6 octahedra. The corner-sharing octahedral tilt angles range from 4-8°. In the fourth Fe site, Fe(4) is bonded to one O(1), one O(14), one O(15), one O(3), one O(8), and one O(9) atom to form FeO6 octahedra that share corners with two equivalent Li(3)O6 octahedra, corners with four equivalent Li(4)O6 octahedra,  an edgeedge with one Li(1)O6 octahedra,  an edgeedge with one Li(2)O6 octahedra,  an edgeedge with one Li(5)O6 octahedra,  an edgeedge with one Li(6)O6 octahedra,  an edgeedge with one Fe(2)O6 octahedra,  an edgeedge with one Fe(5)O6 octahedra,  an edgeedge with one Co(1)O6 octahedra,  an edgeedge with one Co(2)O6 octahedra, edges with two equivalent Li(7)O6 octahedra, and edges with two equivalent Fe(6)O6 octahedra. The corner-sharing octahedral tilt angles range from 4-8°. In the fifth Fe site, Fe(5) is bonded to one O(1), one O(10), one O(12), one O(15), one O(4), and one O(5) atom to form FeO6 octahedra that share corners with two equivalent Li(5)O6 octahedra, corners with four equivalent Li(6)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 Li(8)O6 octahedra,  an edgeedge with one Fe(1)O6 octahedra,  an edgeedge with one Fe(3)O6 octahedra,  an edgeedge with one Fe(4)O6 octahedra,  an edgeedge with one Fe(6)O6 octahedra, edges with two equivalent Li(1)O6 octahedra, and edges with two equivalent Co(2)O6 octahedra. The corner-sharing octahedral tilt angles range from 3-5°. In the sixth Fe site, Fe(6) is bonded to one O(1), one O(12), one O(14), one O(3), one O(6), and one O(8) atom to form FeO6 octahedra that share corners with two equivalent Li(8)O6 octahedra, corners with four equivalent Li(7)O6 octahedra,  an edgeedge with one Li(1)O6 octahedra,  an edgeedge with one Li(2)O6 octahedra,  an edgeedge with one Li(5)O6 octahedra,  an edgeedge with one Li(6)O6 octahedra,  an edgeedge with one Fe(2)O6 octahedra,  an edgeedge with one Fe(5)O6 octahedra,  an edgeedge with one Co(1)O6 octahedra,  an edgeedge with one Co(2)O6 octahedra, edges with two equivalent Li(4)O6 octahedra, and edges with two equivalent Fe(4)O6 octahedra. The corner-sharing octahedral tilt angles range from 4-8°. There are two inequivalent Co sites. In the first Co site, Co(1) is bonded to one O(11), one O(14), one O(16), 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 four equivalent 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(7)O6 octahedra,  an edgeedge with one Li(8)O6 octahedra,  an edgeedge with one Fe(1)O6 octahedra,  an edgeedge with one Fe(3)O6 octahedra,  an edgeedge with one Fe(4)O6 octahedra,  an edgeedge with one Fe(6)O6 octahedra, edges with two equivalent Li(5)O6 octahedra, and edges with two equivalent Fe(2)O6 octahedra. The corner-sharing octahedral tilt angles range from 4-5°. In the second Co site, Co(2) is bonded to one O(10), one O(12), one O(13), one O(15), one O(5), and one O(8) atom to form CoO6 octahedra that share corners with two equivalent Li(2)O6 octahedra, corners with four equivalent Li(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 Li(8)O6 octahedra,  an edgeedge with one Fe(1)O6 octahedra,  an edgeedge with one Fe(3)O6 octahedra,  an edgeedge with one Fe(4)O6 octahedra,  an edgeedge with one Fe(6)O6 octahedra, edges with two equivalent Li(6)O6 octahedra, and edges with two equivalent Fe(5)O6 octahedra. The corner-sharing octahedral tilt angles range from 4-5°. There are sixteen inequivalent O sites. In the first O site, O(1) is bonded to one Li(4), one Li(5), one Li(7), one Fe(4), one Fe(5), and one Fe(6) atom to form OLi3Fe3 octahedra that share corners with two equivalent O(4)Li3Fe3 octahedra, corners with four equivalent O(3)Li3Fe3 octahedra,  an edgeedge with one O(10)Li3Fe2Co octahedra,  an edgeedge with one O(11)Li3Fe2Co octahedra,  an edgeedge with one O(12)Li3Fe2Co octahedra,  an edgeedge with one O(15)Li3Fe2Co octahedra,  an edgeedge with one O(16)Li3Fe2Co octahedra,  an edgeedge with one O(5)Li3Fe2Co octahedra,  an edgeedge with one O(6)Li3Fe2Co octahedra,  an edgeedge with one O(9)Li3Fe2Co octahedra, edges with two equivalent O(14)Li3Fe2Co octahedra, and edges with two equivalent O(8)Li3Fe2Co octahedra. The corner-sharing octahedral tilt angles range from 0-1°. In the second O site, O(2) is bonded to one Li(3), one Li(6), one Li(8), one Fe(1), one Fe(2), and one Fe(3) atom to form OLi3Fe3 octahedra that share corners with two equivalent O(3)Li3Fe3 octahedra, corners with four equivalent O(4)Li3Fe3 octahedra,  an edgeedge with one O(10)Li3Fe2Co octahedra,  an edgeedge with one O(11)Li3Fe2Co octahedra,  an edgeedge with one O(12)Li3Fe2Co octahedra,  an edgeedge with one O(15)Li3Fe2Co octahedra,  an edgeedge with one O(16)Li3Fe2Co octahedra,  an edgeedge with one O(5)Li3Fe2Co octahedra,  an edgeedge with one O(6)Li3Fe2Co octahedra,  an edgeedge with one O(9)Li3Fe2Co octahedra, edges with two equivalent O(13)Li3Fe2Co octahedra, and edges with two equivalent O(7)Li3Fe2Co octahedra. The corner-sharing octahedral tilt angles range from 0-1°. In the third O site, O(3) is bonded to one Li(4), one Li(6), one Li(7), one Fe(2), one Fe(4), and one Fe(6) atom to form OLi3Fe3 octahedra that share corners with two equivalent O(2)Li3Fe3 octahedra, corners with four equivalent O(1)Li3Fe3 octahedra,  an edgeedge with one O(10)Li3Fe2Co octahedra,  an edgeedge with one O(11)Li3Fe2Co octahedra,  an edgeedge with one O(12)Li3Fe2Co octahedra,  an edgeedge with one O(15)Li3Fe2Co octahedra,  an edgeedge with one O(16)Li3Fe2Co octahedra,  an edgeedge with one O(5)Li3Fe2Co octahedra,  an edgeedge with one O(6)Li3Fe2Co octahedra,  an edgeedge with one O(9)Li3Fe2Co octahedra, edges with two equivalent O(14)Li3Fe2Co octahedra, and edges with two equivalent O(8)Li3Fe2Co octahedra. The corner-sharing octahedral tilt angles range from 0-1°. In the fourth O site, O(4) is bonded to one Li(3), one Li(5), one Li(8), one Fe(1), one Fe(3), and one Fe(5) atom to form OLi3Fe3 octahedra that share corners with two equivalent O(1)Li3Fe3 octahedra, corners with four equivalent O(2)Li3Fe3 octahedra,  an edgeedge with one O(10)Li3Fe2Co octahedra,  an edgeedge with one O(11)Li3Fe2Co octahedra,  an edgeedge with one O(12)Li3Fe2Co octahedra,  an edgeedge with one O(15)Li3Fe2Co octahedra,  an edgeedge with one O(16)Li3Fe2Co octahedra,  an edgeedge with one O(5)Li3Fe2Co octahedra,  an edgeedge with one O(6)Li3Fe2Co octahedra,  an edgeedge with one O(9)Li3Fe2Co octahedra, edges with two equivalent O(13)Li3Fe2Co octahedra, and edges with two equivalent O(7)Li3Fe2Co octahedra. The corner-sharing octahedral tilt angles range from 0-1°. In the fifth O site, O(5) is bonded to one Li(1), one Li(6), one Li(7), one Fe(3), one Fe(5), and one Co(2) atom to form OLi3Fe2Co octahedra that share corners with two equivalent O(11)Li3Fe2Co octahedra, corners with four equivalent O(12)Li3Fe2Co octahedra,  an edgeedge with one O(13)Li3Fe2Co octahedra,  an edgeedge with one O(14)Li3Fe2Co octahedra,  an edgeedge with one O(7)Li3Fe2Co octahedra,  an edgeedge with one O(8)Li3Fe2Co octahedra,  an edgeedge with one O(1)Li3Fe3 octahedra,  an edgeedge with one O(2)Li3Fe3 octahedra,  an edgeedge with one O(3)Li3Fe3 octahedra,  an edgeedge with one O(4)Li3Fe3 octahedra, edges with two equivalent O(10)Li3Fe2Co octahedra, and edges with two equivalent O(15)Li3Fe2Co octahedra. The corner-sharing octahedral tilt angles range from 0-1°. In the sixth O site, O(6) is bonded to one Li(2), one Li(5), one Li(8), one Fe(2), one Fe(6), and one Co(1) atom to form OLi3Fe2Co octahedra that share corners with two equivalent O(12)Li3Fe2Co octahedra, corners with four equivalent O(11)Li3Fe2Co octahedra,  an edgeedge with one O(13)Li3Fe2Co octahedra,  an edgeedge with one O(14)Li3Fe2Co octahedra,  an edgeedge with one O(7)Li3Fe2Co octahedra,  an edgeedge with one O(8)Li3Fe2Co octahedra,  an edgeedge with one O(1)Li3Fe3 octahedra,  an edgeedge with one O(2)Li3Fe3 octahedra,  an edgeedge with one O(3)Li3Fe3 octahedra,  an edgeedge with one O(4)Li3Fe3 octahedra, edges with two equivalent O(16)Li3Fe2Co octahedra, and edges with two equivalent O(9)Li3Fe2Co octahedra. The corner-sharing octahedral tilt angles range from 0-1°. In the seventh O site, O(7) is bonded to one Li(1), one Li(3), one Li(8), one Fe(1), one Fe(3), and one Co(1) atom to form OLi3Fe2Co octahedra that share corners with two equivalent O(14)Li3Fe2Co octahedra, corners with four equivalent O(13)Li3Fe2Co octahedra,  an edgeedge with one O(10)Li3Fe2Co octahedra,  an edgeedge with one O(11)Li3Fe2Co octahedra,  an edgeedge with one O(12)Li3Fe2Co octahedra,  an edgeedge with one O(15)Li3Fe2Co octahedra,  an edgeedge with one O(16)Li3Fe2Co octahedra,  an edgeedge with one O(5)Li3Fe2Co octahedra,  an edgeedge with one O(6)Li3Fe2Co octahedra,  an edgeedge with one O(9)Li3Fe2Co octahedra, edges with two equivalent O(2)Li3Fe3 octahedra, and edges with two equivalent O(4)Li3Fe3 octahedra. The corner-sharing octahedral tilt angles range from 0-1°. In the eighth O site, O(8) is bonded to one Li(2), one Li(4), one Li(7), one Fe(4), one Fe(6), and one Co(2) atom to form OLi3Fe2Co octahedra that share corners with two equivalent O(13)Li3Fe2Co octahedra, corners with four equivalent O(14)Li3Fe2Co octahedra,  an edgeedge with one O(10)Li3Fe2Co octahedra,  an edgeedge with one O(11)Li3Fe2Co octahedra,  an edgeedge with one O(12)Li3Fe2Co octahedra,  an edgeedge with one O(15)Li3Fe2Co octahedra,  an edgeedge with one O(16)Li3Fe2Co octahedra,  an edgeedge with one O(5)Li3Fe2Co octahedra,  an edgeedge with one O(6)Li3Fe2Co octahedra,  an edgeedge with one O(9)Li3Fe2Co octahedra, edges with two equivalent O(1)Li3Fe3 octahedra, and edges with two equivalent O(3)Li3Fe3 octahedra. The corner-sharing octahedral tilt angles range from 0-1°. In the ninth O site, O(9) is bonded to one Li(2), one Li(3), one Li(5), one Fe(2), one Fe(4), and one Co(1) atom to form OLi3Fe2Co octahedra that share corners with two equivalent O(15)Li3Fe2Co octahedra, corners with four equivalent O(16)Li3Fe2Co octahedra,  an edgeedge with one O(13)Li3Fe2Co octahedra,  an edgeedge with one O(14)Li3Fe2Co octahedra,  an edgeedge with one O(7)Li3Fe2Co octahedra,  an edgeedge with one O(8)Li3Fe2Co octahedra,  an edgeedge with one O(1)Li3Fe3 octahedra,  an edgeedge with one O(2)Li3Fe3 octahedra,  an edgeedge with one O(3)Li3Fe3 octahedra,  an edgeedge with one O(4)Li3Fe3 octahedra, edges with two equivalent O(11)Li3Fe2Co octahedra, and edges with two equivalent O(6)Li3Fe2Co octahedra. The corner-sharing octahedral tilt angles range from 0-1°. In the tenth O site, O(10) is bonded to one Li(1), one Li(4), one Li(6), one Fe(1), one Fe(5), and one Co(2) atom to form OLi3Fe2Co octahedra that share corners with two equivalent O(16)Li3Fe2Co octahedra, corners with four equivalent O(15)Li3Fe2Co octahedra,  an edgeedge with one O(13)Li3Fe2Co octahedra,  an edgeedge with one O(14)Li3Fe2Co octahedra,  an edgeedge with one O(7)Li3Fe2Co octahedra,  an edgeedge with one O(8)Li3Fe2Co octahedra,  an edgeedge with one O(1)Li3Fe3 octahedra,  an edgeedge with one O(2)Li3Fe3 octahedra,  an edgeedge with one O(3)Li3Fe3 octahedra,  an edgeedge with one O(4)Li3Fe3 octahedra, edges with two equivalent O(12)Li3Fe2Co octahedra, and edges with two equivalent O(5)Li3Fe2Co octahedra. The corner-sharing octahedral tilt angles range from 0-1°. In the eleventh O site, O(11) is bonded to one Li(2), one Li(5), one Li(7), one Fe(2), one Fe(3), and one Co(1) atom to form OLi3Fe2Co octahedra that share corners with two equivalent O(5)Li3Fe2Co octahedra, corners with four equivalent O(6)Li3Fe2Co octahedra,  an edgeedge with one O(13)Li3Fe2Co octahedra,  an edgeedge with one O(14)Li3Fe2Co octahedra,  an edgeedge with one O(7)Li3Fe2Co octahedra,  an edgeedge with one O(8)Li3Fe2Co octahedra,  an edgeedge with one O(1)Li3Fe3 octahedra,  an edgeedge with one O(2)Li3Fe3 octahedra,  an edgeedge with one O(3)Li3Fe3 octahedra,  an edgeedge with one O(4)Li3Fe3 octahedra, edges with two equivalent O(16)Li3Fe2Co octahedra, and edges with two equivalent O(9)Li3Fe2Co octahedra. The corner-sharing octahedral tilt angles range from 0-1°. In the twelfth O site, O(12) is bonded to one Li(1), one Li(6), one Li(8), one Fe(5), one Fe(6), and one Co(2) atom to form OLi3Fe2Co octahedra that share corners with two equivalent O(6)Li3Fe2Co octahedra, corners with four equivalent O(5)Li3Fe2Co octahedra,  an edgeedge with one O(13)Li3Fe2Co octahedra,  an edgeedge with one O(14)Li3Fe2Co octahedra,  an edgeedge with one O(7)Li3Fe2Co octahedra,  an edgeedge with one O(8)Li3Fe2Co octahedra,  an edgeedge with one O(1)Li3Fe3 octahedra,  an edgeedge with one O(2)Li3Fe3 octahedra,  an edgeedge with one O(3)Li3Fe3 octahedra,  an edgeedge with one O(4)Li3Fe3 octahedra, edges with two equivalent O(10)Li3Fe2Co octahedra, and edges with two equivalent O(15)Li3Fe2Co octahedra. The corner-sharing octahedral tilt angles range from 0-1°. In the thirteenth O site, O(13) is bonded to one Li(2), one Li(3), one Li(8), one Fe(1), one Fe(3), and one Co(2) atom to form OLi3Fe2Co octahedra that share corners with two equivalent O(8)Li3Fe2Co octahedra, corners with four equivalent O(7)Li3Fe2Co octahedra,  an edgeedge with one O(10)Li3Fe2Co octahedra,  an edgeedge with one O(11)Li3Fe2Co octahedra,  an edgeedge with one O(12)Li3Fe2Co octahedra,  an edgeedge with one O(15)Li3Fe2Co octahedra,  an edgeedge with one O(16)Li3Fe2Co octahedra,  an edgeedge with one O(5)Li3Fe2Co octahedra,  an edgeedge with one O(6)Li3Fe2Co octahedra,  an edgeedge with one O(9)Li3Fe2Co octahedra, edges with two equivalent O(2)Li3Fe3 octahedra, and edges with two equivalent O(4)Li3Fe3 octahedra. The corner-sharing octahedral tilt angles range from 0-1°. In the fourteenth O site, O(14) is bonded to one Li(1), one Li(4), one Li(7), one Fe(4), one Fe(6), and one Co(1) atom to form OLi3Fe2Co octahedra that share corners with two equivalent O(7)Li3Fe2Co octahedra, corners with four equivalent O(8)Li3Fe2Co octahedra,  an edgeedge with one O(10)Li3Fe2Co octahedra,  an edgeedge with one O(11)Li3Fe2Co octahedra,  an edgeedge with one O(12)Li3Fe2Co octahedra,  an edgeedge with one O(15)Li3Fe2Co octahedra,  an edgeedge with one O(16)Li3Fe2Co octahedra,  an edgeedge with one O(5)Li3Fe2Co octahedra,  an edgeedge with one O(6)Li3Fe2Co octahedra,  an edgeedge with one O(9)Li3Fe2Co octahedra, edges with two equivalent O(1)Li3Fe3 octahedra, and edges with two equivalent O(3)Li3Fe3 octahedra. The corner-sharing octahedral tilt angles range from 0-1°. In the fifteenth O site, O(15) is bonded to one Li(1), one Li(3), one Li(6), one Fe(4), one Fe(5), and one Co(2) atom to form OLi3Fe2Co octahedra that share corners with two equivalent O(9)Li3Fe2Co octahedra, corners with four equivalent O(10)Li3Fe2Co octahedra,  an edgeedge with one O(13)Li3Fe2Co octahedra,  an edgeedge with one O(14)Li3Fe2Co octahedra,  an edgeedge with one O(7)Li3Fe2Co octahedra,  an edgeedge with one O(8)Li3Fe2Co octahedra,  an edgeedge with one O(1)Li3Fe3 octahedra,  an edgeedge with one O(2)Li3Fe3 octahedra,  an edgeedge with one O(3)Li3Fe3 octahedra,  an edgeedge with one O(4)Li3Fe3 octahedra, edges with two equivalent O(12)Li3Fe2Co octahedra, and edges with two equivalent O(5)Li3Fe2Co octahedra. The corner-sharing octahedral tilt angles range from 0-1°. In the sixteenth O site, O(16) is bonded to one Li(2), one Li(4), one Li(5), one Fe(1), one Fe(2), and one Co(1) atom to form OLi3Fe2Co octahedra that share corners with two equivalent O(10)Li3Fe2Co octahedra, corners with four equivalent O(9)Li3Fe2Co octahedra,  an edgeedge with one O(13)Li3Fe2Co octahedra,  an edgeedge with one O(14)Li3Fe2Co octahedra,  an edgeedge with one O(7)Li3Fe2Co octahedra,  an edgeedge with one O(8)Li3Fe2Co octahedra,  an edgeedge with one O(1)Li3Fe3 octahedra,  an edgeedge with one O(2)Li3Fe3 octahedra,  an edgeedge with one O(3)Li3Fe3 octahedra,  an edgeedge with one O(4)Li3Fe3 octahedra, edges with two equivalent O(11)Li3Fe2Co octahedra, and edges with two equivalent O(6)Li3Fe2Co octahedra. The corner-sharing octahedra are not tilted. is represented by the CIF file [CIF]
data_Li4Fe3CoO8
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   5.923
_cell_length_b   5.951
_cell_length_c   5.957
_cell_angle_alpha   60.146
_cell_angle_beta   89.167
_cell_angle_gamma   119.416
_symmetry_Int_Tables_number   1
_cell_volume   149.033
_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
  Co  Co0  1  0.000  0.000  0.000  1.0
  Fe  Fe1  1  0.500  0.500  0.500  1.0
  Fe  Fe2  1  1.000  0.499  0.500  1.0
  Fe  Fe3  1  0.500  0.000  0.000  1.0
  Li  Li4  1  0.500  0.000  0.500  1.0
  Li  Li5  1  0.000  0.501  0.999  1.0
  Li  Li6  1  0.500  0.501  1.000  1.0
  Li  Li7  1  0.000  1.000  0.500  1.0
  O  O8  1  0.260  0.515  0.255  1.0
  O  O9  1  0.740  0.485  0.744  1.0
  O  O10  1  0.755  0.016  0.754  1.0
  O  O11  1  0.246  0.011  0.766  1.0
  O  O12  1  0.756  0.510  0.260  1.0
  O  O13  1  0.244  0.985  0.246  1.0
  O  O14  1  0.754  0.988  0.233  1.0
  O  O15  1  0.244  0.490  0.741  1.0
[/CIF]
.