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(11), one O(13), one O(16), one O(5), and one O(7) atom to form LiO6 octahedra that share corners with three equivalent Co(1)O6 octahedra, corners with three equivalent Co(2)O6 octahedra,  an edgeedge with one Fe(1)O6 octahedra,  an edgeedge with one Fe(2)O6 octahedra,  an edgeedge with one Fe(3)O6 octahedra,  an edgeedge with one Fe(4)O6 octahedra,  an edgeedge with one Fe(5)O6 octahedra,  an edgeedge with one Fe(6)O6 octahedra, edges with two equivalent Li(4)O6 octahedra, edges with two equivalent Li(6)O6 octahedra, and edges with two equivalent Li(7)O6 octahedra. The corner-sharing octahedral tilt angles range from 4-7°. In the second Li site, Li(2) is bonded to one O(12), one O(14), one O(15), one O(6), one O(8), and one O(9) atom to form LiO6 octahedra that share corners with three equivalent Co(1)O6 octahedra, corners with three equivalent Co(2)O6 octahedra,  an edgeedge with one Fe(1)O6 octahedra,  an edgeedge with one Fe(2)O6 octahedra,  an edgeedge with one Fe(3)O6 octahedra,  an edgeedge with one Fe(4)O6 octahedra,  an edgeedge with one Fe(5)O6 octahedra,  an edgeedge with one Fe(6)O6 octahedra, edges with two equivalent Li(3)O6 octahedra, edges with two equivalent Li(5)O6 octahedra, and edges with two equivalent Li(8)O6 octahedra. The corner-sharing octahedral tilt angles range from 4-7°. In the third Li site, Li(3) 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 LiO6 octahedra that share corners with three equivalent Fe(1)O6 octahedra, corners with three equivalent Fe(4)O6 octahedra,  an edgeedge with one Fe(2)O6 octahedra,  an edgeedge with one Fe(3)O6 octahedra,  an edgeedge with one Fe(5)O6 octahedra,  an edgeedge with one Fe(6)O6 octahedra,  an edgeedge with one Co(1)O6 octahedra,  an edgeedge with one Co(2)O6 octahedra, edges with two equivalent Li(2)O6 octahedra, edges with two equivalent Li(5)O6 octahedra, and edges with two equivalent Li(8)O6 octahedra. The corner-sharing octahedral tilt angles range from 4-8°. In the fourth Li site, Li(4) 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 LiO6 octahedra that share corners with three equivalent Fe(1)O6 octahedra, corners with three equivalent Fe(4)O6 octahedra,  an edgeedge with one Fe(2)O6 octahedra,  an edgeedge with one Fe(3)O6 octahedra,  an edgeedge with one Fe(5)O6 octahedra,  an edgeedge with one Fe(6)O6 octahedra,  an edgeedge with one Co(1)O6 octahedra,  an edgeedge with one Co(2)O6 octahedra, edges with two equivalent Li(1)O6 octahedra, edges with two equivalent Li(6)O6 octahedra, and edges with two equivalent Li(7)O6 octahedra. The corner-sharing octahedral tilt angles range from 4-8°. In the fifth Li site, Li(5) is bonded to one O(1), one O(12), one O(15), one O(3), one O(6), and one O(9) atom to form LiO6 octahedra that share corners with three equivalent Fe(2)O6 octahedra, corners with three equivalent Fe(5)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,  an edgeedge with one Co(1)O6 octahedra,  an edgeedge with one Co(2)O6 octahedra, edges with two equivalent Li(2)O6 octahedra, edges with two equivalent Li(3)O6 octahedra, and edges with two equivalent Li(8)O6 octahedra. The corner-sharing octahedral tilt angles range from 3-8°. In the sixth Li site, Li(6) is bonded to one O(10), one O(11), one O(16), one O(2), one O(4), and one O(5) atom to form LiO6 octahedra that share corners with three equivalent Fe(2)O6 octahedra, corners with three equivalent Fe(5)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,  an edgeedge with one Co(1)O6 octahedra,  an edgeedge with one Co(2)O6 octahedra, edges with two equivalent Li(1)O6 octahedra, edges with two equivalent Li(4)O6 octahedra, and edges with two equivalent Li(7)O6 octahedra. The corner-sharing octahedral tilt angles range from 3-8°. In the seventh Li site, Li(7) 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 LiO6 octahedra that share corners with three equivalent Fe(3)O6 octahedra, corners with three equivalent Fe(6)O6 octahedra,  an edgeedge with one Fe(1)O6 octahedra,  an edgeedge with one Fe(2)O6 octahedra,  an edgeedge with one Fe(4)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(1)O6 octahedra, edges with two equivalent Li(4)O6 octahedra, and edges with two equivalent Li(6)O6 octahedra. The corner-sharing octahedral tilt angles range from 4-7°. In the eighth Li site, Li(8) 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 LiO6 octahedra that share corners with three equivalent Fe(3)O6 octahedra, corners with three equivalent Fe(6)O6 octahedra,  an edgeedge with one Fe(1)O6 octahedra,  an edgeedge with one Fe(2)O6 octahedra,  an edgeedge with one Fe(4)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(2)O6 octahedra, edges with two equivalent Li(3)O6 octahedra, and edges with two equivalent Li(5)O6 octahedra. The corner-sharing octahedral tilt angles range from 4-7°. There are six inequivalent Fe sites. In the first Fe site, Fe(1) is bonded to one O(1), one O(13), one O(16), one O(4), one O(8), and one O(9) atom to form FeO6 octahedra that share corners with three equivalent Li(3)O6 octahedra, corners with three 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 Li(7)O6 octahedra,  an edgeedge with one Li(8)O6 octahedra, edges with two equivalent Fe(5)O6 octahedra, edges with two equivalent Fe(6)O6 octahedra, and edges with two equivalent Co(1)O6 octahedra. The corner-sharing octahedral tilt angles range from 4-8°. In the second Fe site, Fe(2) 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 FeO6 octahedra that share corners with three equivalent Li(5)O6 octahedra, corners with three equivalent Li(6)O6 octahedra,  an edgeedge with one Li(1)O6 octahedra,  an edgeedge with one Li(2)O6 octahedra,  an edgeedge with one Li(3)O6 octahedra,  an edgeedge with one Li(4)O6 octahedra,  an edgeedge with one Li(7)O6 octahedra,  an edgeedge with one Li(8)O6 octahedra, edges with two equivalent Fe(3)O6 octahedra, edges with two equivalent Fe(4)O6 octahedra, and edges with two equivalent Co(2)O6 octahedra. The corner-sharing octahedral tilt angles range from 4-7°. In the third Fe site, Fe(3) is bonded to one O(12), one O(14), one O(2), one O(3), one O(5), and one O(7) atom to form FeO6 octahedra that share corners with three equivalent Li(7)O6 octahedra, corners with three 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(3)O6 octahedra,  an edgeedge with one Li(4)O6 octahedra,  an edgeedge with one Li(5)O6 octahedra,  an edgeedge with one Li(6)O6 octahedra, edges with two equivalent Fe(2)O6 octahedra, edges with two equivalent Fe(4)O6 octahedra, and edges with two equivalent Co(2)O6 octahedra. The corner-sharing octahedral tilt angles range from 4-7°. In the fourth Fe site, Fe(4) is bonded to one O(10), one O(14), one O(15), one O(2), one O(3), and one O(7) atom to form FeO6 octahedra that share corners with three equivalent Li(3)O6 octahedra, corners with three 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 Li(7)O6 octahedra,  an edgeedge with one Li(8)O6 octahedra, edges with two equivalent Fe(2)O6 octahedra, edges with two equivalent Fe(3)O6 octahedra, and edges with two equivalent Co(2)O6 octahedra. The corner-sharing octahedral tilt angles range from 4-5°. In the fifth Fe site, Fe(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 FeO6 octahedra that share corners with three equivalent Li(5)O6 octahedra, corners with three equivalent Li(6)O6 octahedra,  an edgeedge with one Li(1)O6 octahedra,  an edgeedge with one Li(2)O6 octahedra,  an edgeedge with one Li(3)O6 octahedra,  an edgeedge with one Li(4)O6 octahedra,  an edgeedge with one Li(7)O6 octahedra,  an edgeedge with one Li(8)O6 octahedra, edges with two equivalent Fe(1)O6 octahedra, edges with two equivalent Fe(6)O6 octahedra, and edges with two equivalent Co(1)O6 octahedra. The corner-sharing octahedral tilt angles range from 3-8°. In the sixth Fe site, Fe(6) is bonded to one O(1), one O(11), one O(13), one O(4), one O(6), and one O(8) atom to form FeO6 octahedra that share corners with three equivalent Li(7)O6 octahedra, corners with three 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(3)O6 octahedra,  an edgeedge with one Li(4)O6 octahedra,  an edgeedge with one Li(5)O6 octahedra,  an edgeedge with one Li(6)O6 octahedra, edges with two equivalent Fe(1)O6 octahedra, edges with two equivalent Fe(5)O6 octahedra, and edges with two equivalent Co(1)O6 octahedra. The corner-sharing octahedral tilt angles range from 5-7°. There are two inequivalent Co sites. In the first Co site, Co(1) 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 CoO6 octahedra that share corners with three equivalent Li(1)O6 octahedra, corners with three 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(5)O6 octahedra,  an edgeedge with one Li(6)O6 octahedra,  an edgeedge with one Li(7)O6 octahedra,  an edgeedge with one Li(8)O6 octahedra, edges with two equivalent Fe(1)O6 octahedra, edges with two equivalent Fe(5)O6 octahedra, and edges with two equivalent Fe(6)O6 octahedra. The corner-sharing octahedral tilt angles range from 4-7°. In the second Co site, Co(2) 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 CoO6 octahedra that share corners with three equivalent Li(1)O6 octahedra, corners with three 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(5)O6 octahedra,  an edgeedge with one Li(6)O6 octahedra,  an edgeedge with one Li(7)O6 octahedra,  an edgeedge with one Li(8)O6 octahedra, edges with two equivalent Fe(2)O6 octahedra, edges with two equivalent Fe(3)O6 octahedra, and edges with two equivalent Fe(4)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(3), one Li(5), one Li(8), one Fe(1), one Fe(5), and one Fe(6) atom to form OLi3Fe3 octahedra that share corners with three equivalent O(3)Li3Fe3 octahedra, corners with three equivalent O(4)Li3Fe3 octahedra,  an edgeedge with one O(11)Li3Fe2Co octahedra,  an edgeedge with one 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(15)Li3Fe2Co octahedra,  an edgeedge with one O(16)Li3Fe2Co octahedra, edges with two equivalent O(6)Li3Fe2Co octahedra, edges with two equivalent O(8)Li3Fe2Co octahedra, and edges with two equivalent O(9)Li3Fe2Co octahedra. The corner-sharing octahedral tilt angles range from 0-2°. In the second O site, O(2) is bonded to one Li(4), one Li(6), one Li(7), one Fe(2), one Fe(3), and one Fe(4) atom to form OLi3Fe3 octahedra that share corners with three equivalent O(3)Li3Fe3 octahedra, corners with three equivalent O(4)Li3Fe3 octahedra,  an edgeedge with one O(11)Li3Fe2Co octahedra,  an edgeedge with one 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(15)Li3Fe2Co octahedra,  an edgeedge with one O(16)Li3Fe2Co octahedra, edges with two equivalent O(10)Li3Fe2Co octahedra, edges with two equivalent O(5)Li3Fe2Co octahedra, and edges with two equivalent O(7)Li3Fe2Co octahedra. The corner-sharing octahedral tilt angles range from 0-2°. In the third O site, O(3) is bonded to one Li(3), one Li(5), one Li(8), one Fe(2), one Fe(3), and one Fe(4) atom to form OLi3Fe3 octahedra that share corners with three equivalent O(1)Li3Fe3 octahedra, corners with three equivalent O(2)Li3Fe3 octahedra,  an edgeedge with one O(10)Li3Fe2Co octahedra,  an edgeedge with one O(5)Li3Fe2Co octahedra,  an edgeedge with one O(6)Li3Fe2Co octahedra,  an edgeedge with one O(7)Li3Fe2Co octahedra,  an edgeedge with one O(8)Li3Fe2Co octahedra,  an edgeedge with one O(9)Li3Fe2Co octahedra, edges with two equivalent O(12)Li3Fe2Co octahedra, edges with two equivalent O(14)Li3Fe2Co octahedra, and edges with two equivalent O(15)Li3Fe2Co octahedra. The corner-sharing octahedral tilt angles range from 0-2°. In the fourth O site, O(4) is bonded to one Li(4), one Li(6), one Li(7), one Fe(1), one Fe(5), and one Fe(6) atom to form OLi3Fe3 octahedra that share corners with three equivalent O(1)Li3Fe3 octahedra, corners with three equivalent O(2)Li3Fe3 octahedra,  an edgeedge with one O(10)Li3Fe2Co octahedra,  an edgeedge with one O(5)Li3Fe2Co octahedra,  an edgeedge with one O(6)Li3Fe2Co octahedra,  an edgeedge with one O(7)Li3Fe2Co octahedra,  an edgeedge with one O(8)Li3Fe2Co octahedra,  an edgeedge with one O(9)Li3Fe2Co octahedra, edges with two equivalent O(11)Li3Fe2Co octahedra, edges with two equivalent O(13)Li3Fe2Co octahedra, and edges with two equivalent O(16)Li3Fe2Co octahedra. The corner-sharing octahedral tilt angles range from 0-2°. In the fifth O site, O(5) is bonded to one Li(1), one Li(6), one Li(7), one Fe(2), one Fe(3), and one Co(2) atom to form OLi3Fe2Co octahedra that share corners with three equivalent O(11)Li3Fe2Co octahedra, corners with three 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(15)Li3Fe2Co octahedra,  an edgeedge with one O(16)Li3Fe2Co 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, edges with two equivalent O(7)Li3Fe2Co octahedra, and edges with two equivalent O(2)Li3Fe3 octahedra. The corner-sharing octahedral tilt angles range from 0-2°. In the sixth O site, O(6) is bonded to one Li(2), one Li(5), one Li(8), one Fe(5), one Fe(6), and one Co(1) atom to form OLi3Fe2Co octahedra that share corners with three equivalent O(11)Li3Fe2Co octahedra, corners with three 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(15)Li3Fe2Co octahedra,  an edgeedge with one O(16)Li3Fe2Co octahedra,  an edgeedge with one O(3)Li3Fe3 octahedra,  an edgeedge with one O(4)Li3Fe3 octahedra, edges with two equivalent O(8)Li3Fe2Co octahedra, edges with two equivalent O(9)Li3Fe2Co octahedra, and edges with two equivalent O(1)Li3Fe3 octahedra. The corner-sharing octahedral tilt angles range from 0-2°. In the seventh O site, O(7) is bonded to one Li(1), one Li(4), one Li(7), one Fe(3), one Fe(4), and one Co(2) atom to form OLi3Fe2Co octahedra that share corners with three equivalent O(13)Li3Fe2Co octahedra, corners with three equivalent O(14)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(3)Li3Fe3 octahedra,  an edgeedge with one O(4)Li3Fe3 octahedra, edges with two equivalent O(10)Li3Fe2Co octahedra, edges with two equivalent O(5)Li3Fe2Co octahedra, and edges with two equivalent O(2)Li3Fe3 octahedra. The corner-sharing octahedral tilt angles range from 0-3°. In the eighth O site, O(8) is bonded to one Li(2), one Li(3), one Li(8), one Fe(1), one Fe(6), and one Co(1) atom to form OLi3Fe2Co octahedra that share corners with three equivalent O(13)Li3Fe2Co octahedra, corners with three equivalent O(14)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(3)Li3Fe3 octahedra,  an edgeedge with one O(4)Li3Fe3 octahedra, edges with two equivalent O(6)Li3Fe2Co octahedra, edges with two equivalent O(9)Li3Fe2Co octahedra, and edges with two equivalent O(1)Li3Fe3 octahedra. The corner-sharing octahedral tilt angles range from 0-3°. In the ninth O site, O(9) is bonded to one Li(2), one Li(3), one Li(5), one Fe(1), one Fe(5), and one Co(1) atom to form OLi3Fe2Co octahedra that share corners with three equivalent O(15)Li3Fe2Co octahedra, corners with three equivalent O(16)Li3Fe2Co octahedra,  an edgeedge with one O(11)Li3Fe2Co octahedra,  an edgeedge with one 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(3)Li3Fe3 octahedra,  an edgeedge with one O(4)Li3Fe3 octahedra, edges with two equivalent O(6)Li3Fe2Co octahedra, edges with two equivalent O(8)Li3Fe2Co octahedra, and edges with two equivalent O(1)Li3Fe3 octahedra. The corner-sharing octahedral tilt angles range from 0-2°. In the tenth O site, O(10) is bonded to one Li(1), one Li(4), one Li(6), one Fe(2), one Fe(4), and one Co(2) atom to form OLi3Fe2Co octahedra that share corners with three equivalent O(15)Li3Fe2Co octahedra, corners with three equivalent O(16)Li3Fe2Co octahedra,  an edgeedge with one O(11)Li3Fe2Co octahedra,  an edgeedge with one 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(3)Li3Fe3 octahedra,  an edgeedge with one O(4)Li3Fe3 octahedra, edges with two equivalent O(5)Li3Fe2Co octahedra, edges with two equivalent O(7)Li3Fe2Co octahedra, and edges with two equivalent O(2)Li3Fe3 octahedra. The corner-sharing octahedral tilt angles range from 0-2°. In the eleventh O site, O(11) is bonded to one Li(1), one Li(6), one Li(7), one Fe(5), one Fe(6), and one Co(1) atom to form OLi3Fe2Co octahedra that share corners with three equivalent O(5)Li3Fe2Co octahedra, corners with three equivalent O(6)Li3Fe2Co octahedra,  an edgeedge with one O(10)Li3Fe2Co octahedra,  an edgeedge with one O(7)Li3Fe2Co octahedra,  an edgeedge with one O(8)Li3Fe2Co octahedra,  an edgeedge with one O(9)Li3Fe2Co octahedra,  an edgeedge with one O(1)Li3Fe3 octahedra,  an edgeedge with one O(2)Li3Fe3 octahedra, edges with two equivalent O(13)Li3Fe2Co octahedra, edges with two equivalent O(16)Li3Fe2Co octahedra, and edges with two equivalent O(4)Li3Fe3 octahedra. The corner-sharing octahedral tilt angles range from 0-2°. In the twelfth O site, O(12) is bonded to one Li(2), one Li(5), one Li(8), one Fe(2), one Fe(3), and one Co(2) atom to form OLi3Fe2Co octahedra that share corners with three equivalent O(5)Li3Fe2Co octahedra, corners with three equivalent O(6)Li3Fe2Co octahedra,  an edgeedge with one O(10)Li3Fe2Co octahedra,  an edgeedge with one O(7)Li3Fe2Co octahedra,  an edgeedge with one O(8)Li3Fe2Co octahedra,  an edgeedge with one O(9)Li3Fe2Co octahedra,  an edgeedge with one O(1)Li3Fe3 octahedra,  an edgeedge with one O(2)Li3Fe3 octahedra, edges with two equivalent O(14)Li3Fe2Co octahedra, edges with two equivalent O(15)Li3Fe2Co octahedra, and edges with two equivalent O(3)Li3Fe3 octahedra. The corner-sharing octahedral tilt angles range from 0-2°. In the thirteenth O site, O(13) is bonded to one Li(1), one Li(4), one Li(7), one Fe(1), one Fe(6), and one Co(1) atom to form OLi3Fe2Co octahedra that share corners with three equivalent O(7)Li3Fe2Co octahedra, corners with three equivalent O(8)Li3Fe2Co octahedra,  an edgeedge with one O(10)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,  an edgeedge with one O(1)Li3Fe3 octahedra,  an edgeedge with one O(2)Li3Fe3 octahedra, edges with two equivalent O(11)Li3Fe2Co octahedra, edges with two equivalent O(16)Li3Fe2Co octahedra, and edges with two equivalent O(4)Li3Fe3 octahedra. The corner-sharing octahedral tilt angles range from 0-3°. In the fourteenth O site, O(14) is bonded to one Li(2), one Li(3), one Li(8), one Fe(3), one Fe(4), and one Co(2) atom to form OLi3Fe2Co octahedra that share corners with three equivalent O(7)Li3Fe2Co octahedra, corners with three equivalent O(8)Li3Fe2Co octahedra,  an edgeedge with one O(10)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,  an edgeedge with one O(1)Li3Fe3 octahedra,  an edgeedge with one O(2)Li3Fe3 octahedra, edges with two equivalent O(12)Li3Fe2Co octahedra, edges with two equivalent O(15)Li3Fe2Co octahedra, and edges with two equivalent O(3)Li3Fe3 octahedra. The corner-sharing octahedral tilt angles range from 0-3°. In the fifteenth O site, O(15) is bonded to one Li(2), one Li(3), one Li(5), one Fe(2), one Fe(4), and one Co(2) atom to form OLi3Fe2Co octahedra that share corners with three equivalent O(10)Li3Fe2Co octahedra, corners with three equivalent O(9)Li3Fe2Co octahedra,  an edgeedge with one O(5)Li3Fe2Co octahedra,  an edgeedge with one O(6)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, edges with two equivalent O(12)Li3Fe2Co octahedra, edges with two equivalent O(14)Li3Fe2Co octahedra, and edges with two equivalent O(3)Li3Fe3 octahedra. The corner-sharing octahedral tilt angles range from 0-2°. In the sixteenth O site, O(16) is bonded to one Li(1), one Li(4), one Li(6), one Fe(1), one Fe(5), and one Co(1) atom to form OLi3Fe2Co octahedra that share corners with three equivalent O(10)Li3Fe2Co octahedra, corners with three equivalent O(9)Li3Fe2Co octahedra,  an edgeedge with one O(5)Li3Fe2Co octahedra,  an edgeedge with one O(6)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, edges with two equivalent O(11)Li3Fe2Co octahedra, edges with two equivalent O(13)Li3Fe2Co octahedra, and edges with two equivalent O(4)Li3Fe3 octahedra. The corner-sharing octahedral tilt angles range from 0-2°. is represented by the CIF file [CIF]
data_Li4Fe3CoO8
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   5.908
_cell_length_b   10.313
_cell_length_c   5.956
_cell_angle_alpha   73.954
_cell_angle_beta   119.687
_cell_angle_gamma   106.464
_symmetry_Int_Tables_number   1
_cell_volume   298.254
_cell_formula_units_Z   2
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  0.757  0.252  0.254  1.0
  Li  Li1  1  0.243  0.748  0.746  1.0
  Li  Li2  1  0.755  0.750  0.256  1.0
  Li  Li3  1  0.245  0.250  0.744  1.0
  Li  Li4  1  0.755  0.751  0.751  1.0
  Li  Li5  1  0.245  0.249  0.249  1.0
  Li  Li6  1  0.749  0.248  0.750  1.0
  Li  Li7  1  0.251  0.752  0.250  1.0
  Fe  Fe8  1  0.500  0.000  0.500  1.0
  Fe  Fe9  1  1.000  0.500  0.500  1.0
  Fe  Fe10  1  0.500  0.500  1.000  1.0
  Fe  Fe11  1  1.000  0.500  1.000  1.0
  Fe  Fe12  1  0.501  1.000  0.001  1.0
  Fe  Fe13  1  0.000  0.000  0.500  1.0
  Co  Co14  1  1.000  0.000  1.000  1.0
  Co  Co15  1  0.500  0.500  0.499  1.0
  O  O16  1  0.626  0.885  0.367  1.0
  O  O17  1  0.128  0.386  0.867  1.0
  O  O18  1  0.872  0.614  0.133  1.0
  O  O19  1  0.374  0.115  0.634  1.0
  O  O20  1  0.622  0.388  0.374  1.0
  O  O21  1  0.124  0.889  0.875  1.0
  O  O22  1  0.630  0.384  0.876  1.0
  O  O23  1  0.139  0.881  0.392  1.0
  O  O24  1  0.647  0.890  0.877  1.0
  O  O25  1  0.123  0.385  0.367  1.0
  O  O26  1  0.876  0.111  0.126  1.0
  O  O27  1  0.379  0.612  0.626  1.0
  O  O28  1  0.861  0.118  0.608  1.0
  O  O29  1  0.370  0.616  0.124  1.0
  O  O30  1  0.877  0.615  0.633  1.0
  O  O31  1  0.352  0.110  0.123  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(11), one O(13), one O(16), one O(5), and one O(7) atom to form LiO6 octahedra that share corners with three equivalent Co(1)O6 octahedra, corners with three equivalent Co(2)O6 octahedra,  an edgeedge with one Fe(1)O6 octahedra,  an edgeedge with one Fe(2)O6 octahedra,  an edgeedge with one Fe(3)O6 octahedra,  an edgeedge with one Fe(4)O6 octahedra,  an edgeedge with one Fe(5)O6 octahedra,  an edgeedge with one Fe(6)O6 octahedra, edges with two equivalent Li(4)O6 octahedra, edges with two equivalent Li(6)O6 octahedra, and edges with two equivalent Li(7)O6 octahedra. The corner-sharing octahedral tilt angles range from 4-7°. In the second Li site, Li(2) is bonded to one O(12), one O(14), one O(15), one O(6), one O(8), and one O(9) atom to form LiO6 octahedra that share corners with three equivalent Co(1)O6 octahedra, corners with three equivalent Co(2)O6 octahedra,  an edgeedge with one Fe(1)O6 octahedra,  an edgeedge with one Fe(2)O6 octahedra,  an edgeedge with one Fe(3)O6 octahedra,  an edgeedge with one Fe(4)O6 octahedra,  an edgeedge with one Fe(5)O6 octahedra,  an edgeedge with one Fe(6)O6 octahedra, edges with two equivalent Li(3)O6 octahedra, edges with two equivalent Li(5)O6 octahedra, and edges with two equivalent Li(8)O6 octahedra. The corner-sharing octahedral tilt angles range from 4-7°. In the third Li site, Li(3) 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 LiO6 octahedra that share corners with three equivalent Fe(1)O6 octahedra, corners with three equivalent Fe(4)O6 octahedra,  an edgeedge with one Fe(2)O6 octahedra,  an edgeedge with one Fe(3)O6 octahedra,  an edgeedge with one Fe(5)O6 octahedra,  an edgeedge with one Fe(6)O6 octahedra,  an edgeedge with one Co(1)O6 octahedra,  an edgeedge with one Co(2)O6 octahedra, edges with two equivalent Li(2)O6 octahedra, edges with two equivalent Li(5)O6 octahedra, and edges with two equivalent Li(8)O6 octahedra. The corner-sharing octahedral tilt angles range from 4-8°. In the fourth Li site, Li(4) 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 LiO6 octahedra that share corners with three equivalent Fe(1)O6 octahedra, corners with three equivalent Fe(4)O6 octahedra,  an edgeedge with one Fe(2)O6 octahedra,  an edgeedge with one Fe(3)O6 octahedra,  an edgeedge with one Fe(5)O6 octahedra,  an edgeedge with one Fe(6)O6 octahedra,  an edgeedge with one Co(1)O6 octahedra,  an edgeedge with one Co(2)O6 octahedra, edges with two equivalent Li(1)O6 octahedra, edges with two equivalent Li(6)O6 octahedra, and edges with two equivalent Li(7)O6 octahedra. The corner-sharing octahedral tilt angles range from 4-8°. In the fifth Li site, Li(5) is bonded to one O(1), one O(12), one O(15), one O(3), one O(6), and one O(9) atom to form LiO6 octahedra that share corners with three equivalent Fe(2)O6 octahedra, corners with three equivalent Fe(5)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,  an edgeedge with one Co(1)O6 octahedra,  an edgeedge with one Co(2)O6 octahedra, edges with two equivalent Li(2)O6 octahedra, edges with two equivalent Li(3)O6 octahedra, and edges with two equivalent Li(8)O6 octahedra. The corner-sharing octahedral tilt angles range from 3-8°. In the sixth Li site, Li(6) is bonded to one O(10), one O(11), one O(16), one O(2), one O(4), and one O(5) atom to form LiO6 octahedra that share corners with three equivalent Fe(2)O6 octahedra, corners with three equivalent Fe(5)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,  an edgeedge with one Co(1)O6 octahedra,  an edgeedge with one Co(2)O6 octahedra, edges with two equivalent Li(1)O6 octahedra, edges with two equivalent Li(4)O6 octahedra, and edges with two equivalent Li(7)O6 octahedra. The corner-sharing octahedral tilt angles range from 3-8°. In the seventh Li site, Li(7) 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 LiO6 octahedra that share corners with three equivalent Fe(3)O6 octahedra, corners with three equivalent Fe(6)O6 octahedra,  an edgeedge with one Fe(1)O6 octahedra,  an edgeedge with one Fe(2)O6 octahedra,  an edgeedge with one Fe(4)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(1)O6 octahedra, edges with two equivalent Li(4)O6 octahedra, and edges with two equivalent Li(6)O6 octahedra. The corner-sharing octahedral tilt angles range from 4-7°. In the eighth Li site, Li(8) 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 LiO6 octahedra that share corners with three equivalent Fe(3)O6 octahedra, corners with three equivalent Fe(6)O6 octahedra,  an edgeedge with one Fe(1)O6 octahedra,  an edgeedge with one Fe(2)O6 octahedra,  an edgeedge with one Fe(4)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(2)O6 octahedra, edges with two equivalent Li(3)O6 octahedra, and edges with two equivalent Li(5)O6 octahedra. The corner-sharing octahedral tilt angles range from 4-7°. There are six inequivalent Fe sites. In the first Fe site, Fe(1) is bonded to one O(1), one O(13), one O(16), one O(4), one O(8), and one O(9) atom to form FeO6 octahedra that share corners with three equivalent Li(3)O6 octahedra, corners with three 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 Li(7)O6 octahedra,  an edgeedge with one Li(8)O6 octahedra, edges with two equivalent Fe(5)O6 octahedra, edges with two equivalent Fe(6)O6 octahedra, and edges with two equivalent Co(1)O6 octahedra. The corner-sharing octahedral tilt angles range from 4-8°. In the second Fe site, Fe(2) 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 FeO6 octahedra that share corners with three equivalent Li(5)O6 octahedra, corners with three equivalent Li(6)O6 octahedra,  an edgeedge with one Li(1)O6 octahedra,  an edgeedge with one Li(2)O6 octahedra,  an edgeedge with one Li(3)O6 octahedra,  an edgeedge with one Li(4)O6 octahedra,  an edgeedge with one Li(7)O6 octahedra,  an edgeedge with one Li(8)O6 octahedra, edges with two equivalent Fe(3)O6 octahedra, edges with two equivalent Fe(4)O6 octahedra, and edges with two equivalent Co(2)O6 octahedra. The corner-sharing octahedral tilt angles range from 4-7°. In the third Fe site, Fe(3) is bonded to one O(12), one O(14), one O(2), one O(3), one O(5), and one O(7) atom to form FeO6 octahedra that share corners with three equivalent Li(7)O6 octahedra, corners with three 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(3)O6 octahedra,  an edgeedge with one Li(4)O6 octahedra,  an edgeedge with one Li(5)O6 octahedra,  an edgeedge with one Li(6)O6 octahedra, edges with two equivalent Fe(2)O6 octahedra, edges with two equivalent Fe(4)O6 octahedra, and edges with two equivalent Co(2)O6 octahedra. The corner-sharing octahedral tilt angles range from 4-7°. In the fourth Fe site, Fe(4) is bonded to one O(10), one O(14), one O(15), one O(2), one O(3), and one O(7) atom to form FeO6 octahedra that share corners with three equivalent Li(3)O6 octahedra, corners with three 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 Li(7)O6 octahedra,  an edgeedge with one Li(8)O6 octahedra, edges with two equivalent Fe(2)O6 octahedra, edges with two equivalent Fe(3)O6 octahedra, and edges with two equivalent Co(2)O6 octahedra. The corner-sharing octahedral tilt angles range from 4-5°. In the fifth Fe site, Fe(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 FeO6 octahedra that share corners with three equivalent Li(5)O6 octahedra, corners with three equivalent Li(6)O6 octahedra,  an edgeedge with one Li(1)O6 octahedra,  an edgeedge with one Li(2)O6 octahedra,  an edgeedge with one Li(3)O6 octahedra,  an edgeedge with one Li(4)O6 octahedra,  an edgeedge with one Li(7)O6 octahedra,  an edgeedge with one Li(8)O6 octahedra, edges with two equivalent Fe(1)O6 octahedra, edges with two equivalent Fe(6)O6 octahedra, and edges with two equivalent Co(1)O6 octahedra. The corner-sharing octahedral tilt angles range from 3-8°. In the sixth Fe site, Fe(6) is bonded to one O(1), one O(11), one O(13), one O(4), one O(6), and one O(8) atom to form FeO6 octahedra that share corners with three equivalent Li(7)O6 octahedra, corners with three 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(3)O6 octahedra,  an edgeedge with one Li(4)O6 octahedra,  an edgeedge with one Li(5)O6 octahedra,  an edgeedge with one Li(6)O6 octahedra, edges with two equivalent Fe(1)O6 octahedra, edges with two equivalent Fe(5)O6 octahedra, and edges with two equivalent Co(1)O6 octahedra. The corner-sharing octahedral tilt angles range from 5-7°. There are two inequivalent Co sites. In the first Co site, Co(1) 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 CoO6 octahedra that share corners with three equivalent Li(1)O6 octahedra, corners with three 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(5)O6 octahedra,  an edgeedge with one Li(6)O6 octahedra,  an edgeedge with one Li(7)O6 octahedra,  an edgeedge with one Li(8)O6 octahedra, edges with two equivalent Fe(1)O6 octahedra, edges with two equivalent Fe(5)O6 octahedra, and edges with two equivalent Fe(6)O6 octahedra. The corner-sharing octahedral tilt angles range from 4-7°. In the second Co site, Co(2) 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 CoO6 octahedra that share corners with three equivalent Li(1)O6 octahedra, corners with three 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(5)O6 octahedra,  an edgeedge with one Li(6)O6 octahedra,  an edgeedge with one Li(7)O6 octahedra,  an edgeedge with one Li(8)O6 octahedra, edges with two equivalent Fe(2)O6 octahedra, edges with two equivalent Fe(3)O6 octahedra, and edges with two equivalent Fe(4)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(3), one Li(5), one Li(8), one Fe(1), one Fe(5), and one Fe(6) atom to form OLi3Fe3 octahedra that share corners with three equivalent O(3)Li3Fe3 octahedra, corners with three equivalent O(4)Li3Fe3 octahedra,  an edgeedge with one O(11)Li3Fe2Co octahedra,  an edgeedge with one 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(15)Li3Fe2Co octahedra,  an edgeedge with one O(16)Li3Fe2Co octahedra, edges with two equivalent O(6)Li3Fe2Co octahedra, edges with two equivalent O(8)Li3Fe2Co octahedra, and edges with two equivalent O(9)Li3Fe2Co octahedra. The corner-sharing octahedral tilt angles range from 0-2°. In the second O site, O(2) is bonded to one Li(4), one Li(6), one Li(7), one Fe(2), one Fe(3), and one Fe(4) atom to form OLi3Fe3 octahedra that share corners with three equivalent O(3)Li3Fe3 octahedra, corners with three equivalent O(4)Li3Fe3 octahedra,  an edgeedge with one O(11)Li3Fe2Co octahedra,  an edgeedge with one 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(15)Li3Fe2Co octahedra,  an edgeedge with one O(16)Li3Fe2Co octahedra, edges with two equivalent O(10)Li3Fe2Co octahedra, edges with two equivalent O(5)Li3Fe2Co octahedra, and edges with two equivalent O(7)Li3Fe2Co octahedra. The corner-sharing octahedral tilt angles range from 0-2°. In the third O site, O(3) is bonded to one Li(3), one Li(5), one Li(8), one Fe(2), one Fe(3), and one Fe(4) atom to form OLi3Fe3 octahedra that share corners with three equivalent O(1)Li3Fe3 octahedra, corners with three equivalent O(2)Li3Fe3 octahedra,  an edgeedge with one O(10)Li3Fe2Co octahedra,  an edgeedge with one O(5)Li3Fe2Co octahedra,  an edgeedge with one O(6)Li3Fe2Co octahedra,  an edgeedge with one O(7)Li3Fe2Co octahedra,  an edgeedge with one O(8)Li3Fe2Co octahedra,  an edgeedge with one O(9)Li3Fe2Co octahedra, edges with two equivalent O(12)Li3Fe2Co octahedra, edges with two equivalent O(14)Li3Fe2Co octahedra, and edges with two equivalent O(15)Li3Fe2Co octahedra. The corner-sharing octahedral tilt angles range from 0-2°. In the fourth O site, O(4) is bonded to one Li(4), one Li(6), one Li(7), one Fe(1), one Fe(5), and one Fe(6) atom to form OLi3Fe3 octahedra that share corners with three equivalent O(1)Li3Fe3 octahedra, corners with three equivalent O(2)Li3Fe3 octahedra,  an edgeedge with one O(10)Li3Fe2Co octahedra,  an edgeedge with one O(5)Li3Fe2Co octahedra,  an edgeedge with one O(6)Li3Fe2Co octahedra,  an edgeedge with one O(7)Li3Fe2Co octahedra,  an edgeedge with one O(8)Li3Fe2Co octahedra,  an edgeedge with one O(9)Li3Fe2Co octahedra, edges with two equivalent O(11)Li3Fe2Co octahedra, edges with two equivalent O(13)Li3Fe2Co octahedra, and edges with two equivalent O(16)Li3Fe2Co octahedra. The corner-sharing octahedral tilt angles range from 0-2°. In the fifth O site, O(5) is bonded to one Li(1), one Li(6), one Li(7), one Fe(2), one Fe(3), and one Co(2) atom to form OLi3Fe2Co octahedra that share corners with three equivalent O(11)Li3Fe2Co octahedra, corners with three 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(15)Li3Fe2Co octahedra,  an edgeedge with one O(16)Li3Fe2Co 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, edges with two equivalent O(7)Li3Fe2Co octahedra, and edges with two equivalent O(2)Li3Fe3 octahedra. The corner-sharing octahedral tilt angles range from 0-2°. In the sixth O site, O(6) is bonded to one Li(2), one Li(5), one Li(8), one Fe(5), one Fe(6), and one Co(1) atom to form OLi3Fe2Co octahedra that share corners with three equivalent O(11)Li3Fe2Co octahedra, corners with three 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(15)Li3Fe2Co octahedra,  an edgeedge with one O(16)Li3Fe2Co octahedra,  an edgeedge with one O(3)Li3Fe3 octahedra,  an edgeedge with one O(4)Li3Fe3 octahedra, edges with two equivalent O(8)Li3Fe2Co octahedra, edges with two equivalent O(9)Li3Fe2Co octahedra, and edges with two equivalent O(1)Li3Fe3 octahedra. The corner-sharing octahedral tilt angles range from 0-2°. In the seventh O site, O(7) is bonded to one Li(1), one Li(4), one Li(7), one Fe(3), one Fe(4), and one Co(2) atom to form OLi3Fe2Co octahedra that share corners with three equivalent O(13)Li3Fe2Co octahedra, corners with three equivalent O(14)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(3)Li3Fe3 octahedra,  an edgeedge with one O(4)Li3Fe3 octahedra, edges with two equivalent O(10)Li3Fe2Co octahedra, edges with two equivalent O(5)Li3Fe2Co octahedra, and edges with two equivalent O(2)Li3Fe3 octahedra. The corner-sharing octahedral tilt angles range from 0-3°. In the eighth O site, O(8) is bonded to one Li(2), one Li(3), one Li(8), one Fe(1), one Fe(6), and one Co(1) atom to form OLi3Fe2Co octahedra that share corners with three equivalent O(13)Li3Fe2Co octahedra, corners with three equivalent O(14)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(3)Li3Fe3 octahedra,  an edgeedge with one O(4)Li3Fe3 octahedra, edges with two equivalent O(6)Li3Fe2Co octahedra, edges with two equivalent O(9)Li3Fe2Co octahedra, and edges with two equivalent O(1)Li3Fe3 octahedra. The corner-sharing octahedral tilt angles range from 0-3°. In the ninth O site, O(9) is bonded to one Li(2), one Li(3), one Li(5), one Fe(1), one Fe(5), and one Co(1) atom to form OLi3Fe2Co octahedra that share corners with three equivalent O(15)Li3Fe2Co octahedra, corners with three equivalent O(16)Li3Fe2Co octahedra,  an edgeedge with one O(11)Li3Fe2Co octahedra,  an edgeedge with one 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(3)Li3Fe3 octahedra,  an edgeedge with one O(4)Li3Fe3 octahedra, edges with two equivalent O(6)Li3Fe2Co octahedra, edges with two equivalent O(8)Li3Fe2Co octahedra, and edges with two equivalent O(1)Li3Fe3 octahedra. The corner-sharing octahedral tilt angles range from 0-2°. In the tenth O site, O(10) is bonded to one Li(1), one Li(4), one Li(6), one Fe(2), one Fe(4), and one Co(2) atom to form OLi3Fe2Co octahedra that share corners with three equivalent O(15)Li3Fe2Co octahedra, corners with three equivalent O(16)Li3Fe2Co octahedra,  an edgeedge with one O(11)Li3Fe2Co octahedra,  an edgeedge with one 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(3)Li3Fe3 octahedra,  an edgeedge with one O(4)Li3Fe3 octahedra, edges with two equivalent O(5)Li3Fe2Co octahedra, edges with two equivalent O(7)Li3Fe2Co octahedra, and edges with two equivalent O(2)Li3Fe3 octahedra. The corner-sharing octahedral tilt angles range from 0-2°. In the eleventh O site, O(11) is bonded to one Li(1), one Li(6), one Li(7), one Fe(5), one Fe(6), and one Co(1) atom to form OLi3Fe2Co octahedra that share corners with three equivalent O(5)Li3Fe2Co octahedra, corners with three equivalent O(6)Li3Fe2Co octahedra,  an edgeedge with one O(10)Li3Fe2Co octahedra,  an edgeedge with one O(7)Li3Fe2Co octahedra,  an edgeedge with one O(8)Li3Fe2Co octahedra,  an edgeedge with one O(9)Li3Fe2Co octahedra,  an edgeedge with one O(1)Li3Fe3 octahedra,  an edgeedge with one O(2)Li3Fe3 octahedra, edges with two equivalent O(13)Li3Fe2Co octahedra, edges with two equivalent O(16)Li3Fe2Co octahedra, and edges with two equivalent O(4)Li3Fe3 octahedra. The corner-sharing octahedral tilt angles range from 0-2°. In the twelfth O site, O(12) is bonded to one Li(2), one Li(5), one Li(8), one Fe(2), one Fe(3), and one Co(2) atom to form OLi3Fe2Co octahedra that share corners with three equivalent O(5)Li3Fe2Co octahedra, corners with three equivalent O(6)Li3Fe2Co octahedra,  an edgeedge with one O(10)Li3Fe2Co octahedra,  an edgeedge with one O(7)Li3Fe2Co octahedra,  an edgeedge with one O(8)Li3Fe2Co octahedra,  an edgeedge with one O(9)Li3Fe2Co octahedra,  an edgeedge with one O(1)Li3Fe3 octahedra,  an edgeedge with one O(2)Li3Fe3 octahedra, edges with two equivalent O(14)Li3Fe2Co octahedra, edges with two equivalent O(15)Li3Fe2Co octahedra, and edges with two equivalent O(3)Li3Fe3 octahedra. The corner-sharing octahedral tilt angles range from 0-2°. In the thirteenth O site, O(13) is bonded to one Li(1), one Li(4), one Li(7), one Fe(1), one Fe(6), and one Co(1) atom to form OLi3Fe2Co octahedra that share corners with three equivalent O(7)Li3Fe2Co octahedra, corners with three equivalent O(8)Li3Fe2Co octahedra,  an edgeedge with one O(10)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,  an edgeedge with one O(1)Li3Fe3 octahedra,  an edgeedge with one O(2)Li3Fe3 octahedra, edges with two equivalent O(11)Li3Fe2Co octahedra, edges with two equivalent O(16)Li3Fe2Co octahedra, and edges with two equivalent O(4)Li3Fe3 octahedra. The corner-sharing octahedral tilt angles range from 0-3°. In the fourteenth O site, O(14) is bonded to one Li(2), one Li(3), one Li(8), one Fe(3), one Fe(4), and one Co(2) atom to form OLi3Fe2Co octahedra that share corners with three equivalent O(7)Li3Fe2Co octahedra, corners with three equivalent O(8)Li3Fe2Co octahedra,  an edgeedge with one O(10)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,  an edgeedge with one O(1)Li3Fe3 octahedra,  an edgeedge with one O(2)Li3Fe3 octahedra, edges with two equivalent O(12)Li3Fe2Co octahedra, edges with two equivalent O(15)Li3Fe2Co octahedra, and edges with two equivalent O(3)Li3Fe3 octahedra. The corner-sharing octahedral tilt angles range from 0-3°. In the fifteenth O site, O(15) is bonded to one Li(2), one Li(3), one Li(5), one Fe(2), one Fe(4), and one Co(2) atom to form OLi3Fe2Co octahedra that share corners with three equivalent O(10)Li3Fe2Co octahedra, corners with three equivalent O(9)Li3Fe2Co octahedra,  an edgeedge with one O(5)Li3Fe2Co octahedra,  an edgeedge with one O(6)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, edges with two equivalent O(12)Li3Fe2Co octahedra, edges with two equivalent O(14)Li3Fe2Co octahedra, and edges with two equivalent O(3)Li3Fe3 octahedra. The corner-sharing octahedral tilt angles range from 0-2°. In the sixteenth O site, O(16) is bonded to one Li(1), one Li(4), one Li(6), one Fe(1), one Fe(5), and one Co(1) atom to form OLi3Fe2Co octahedra that share corners with three equivalent O(10)Li3Fe2Co octahedra, corners with three equivalent O(9)Li3Fe2Co octahedra,  an edgeedge with one O(5)Li3Fe2Co octahedra,  an edgeedge with one O(6)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, edges with two equivalent O(11)Li3Fe2Co octahedra, edges with two equivalent O(13)Li3Fe2Co octahedra, and edges with two equivalent O(4)Li3Fe3 octahedra. The corner-sharing octahedral tilt angles range from 0-2°. is represented by the CIF file [CIF]
data_Li4Fe3CoO8
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   5.908
_cell_length_b   10.313
_cell_length_c   5.956
_cell_angle_alpha   73.954
_cell_angle_beta   119.687
_cell_angle_gamma   106.464
_symmetry_Int_Tables_number   1
_cell_volume   298.254
_cell_formula_units_Z   2
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  0.757  0.252  0.254  1.0
  Li  Li1  1  0.243  0.748  0.746  1.0
  Li  Li2  1  0.755  0.750  0.256  1.0
  Li  Li3  1  0.245  0.250  0.744  1.0
  Li  Li4  1  0.755  0.751  0.751  1.0
  Li  Li5  1  0.245  0.249  0.249  1.0
  Li  Li6  1  0.749  0.248  0.750  1.0
  Li  Li7  1  0.251  0.752  0.250  1.0
  Fe  Fe8  1  0.500  0.000  0.500  1.0
  Fe  Fe9  1  1.000  0.500  0.500  1.0
  Fe  Fe10  1  0.500  0.500  1.000  1.0
  Fe  Fe11  1  1.000  0.500  1.000  1.0
  Fe  Fe12  1  0.501  1.000  0.001  1.0
  Fe  Fe13  1  0.000  0.000  0.500  1.0
  Co  Co14  1  1.000  0.000  1.000  1.0
  Co  Co15  1  0.500  0.500  0.499  1.0
  O  O16  1  0.626  0.885  0.367  1.0
  O  O17  1  0.128  0.386  0.867  1.0
  O  O18  1  0.872  0.614  0.133  1.0
  O  O19  1  0.374  0.115  0.634  1.0
  O  O20  1  0.622  0.388  0.374  1.0
  O  O21  1  0.124  0.889  0.875  1.0
  O  O22  1  0.630  0.384  0.876  1.0
  O  O23  1  0.139  0.881  0.392  1.0
  O  O24  1  0.647  0.890  0.877  1.0
  O  O25  1  0.123  0.385  0.367  1.0
  O  O26  1  0.876  0.111  0.126  1.0
  O  O27  1  0.379  0.612  0.626  1.0
  O  O28  1  0.861  0.118  0.608  1.0
  O  O29  1  0.370  0.616  0.124  1.0
  O  O30  1  0.877  0.615  0.633  1.0
  O  O31  1  0.352  0.110  0.123  1.0
[/CIF]
.