The crystal structure described by Li3MnCo3O8 crystallizes in the triclinic P1 space group. There are six inequivalent Li sites. In the first Li site, Li(1) is bonded to one O(1), one O(11), one O(14), one O(16), one O(4), and one O(9) atom to form LiO6 octahedra that share corners with three equivalent Mn(1)O6 octahedra, corners with three equivalent Mn(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 Co(1)O6 octahedra,  an edgeedge with one Co(4)O6 octahedra, edges with two equivalent Co(5)O6 octahedra, and edges with two equivalent Co(6)O6 octahedra. The corner-sharing octahedral tilt angles range from 1-9°. In the second Li site, Li(2) is bonded to one O(10), one O(12), one O(13), one O(15), one O(2), and one O(3) atom to form LiO6 octahedra that share corners with three equivalent Mn(1)O6 octahedra, corners with three equivalent Mn(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 Co(1)O6 octahedra,  an edgeedge with one Co(4)O6 octahedra, edges with two equivalent Co(2)O6 octahedra, and edges with two equivalent Co(3)O6 octahedra. The corner-sharing octahedral tilt angles range from 2-11°. In the third Li site, Li(3) 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 Co(3)O6 octahedra, corners with three equivalent Co(6)O6 octahedra,  an edgeedge with one Li(1)O6 octahedra,  an edgeedge with one Li(2)O6 octahedra,  an edgeedge with one Co(2)O6 octahedra,  an edgeedge with one Co(5)O6 octahedra, edges with two equivalent Li(6)O6 octahedra, edges with two equivalent Mn(1)O6 octahedra, and edges with two equivalent Co(1)O6 octahedra. The corner-sharing octahedral tilt angles range from 7-11°. In the fourth Li site, Li(4) 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 Co(3)O6 octahedra, corners with three equivalent Co(6)O6 octahedra,  an edgeedge with one Li(1)O6 octahedra,  an edgeedge with one Li(2)O6 octahedra,  an edgeedge with one Co(2)O6 octahedra,  an edgeedge with one Co(5)O6 octahedra, edges with two equivalent Li(5)O6 octahedra, edges with two equivalent Mn(2)O6 octahedra, and edges with two equivalent Co(4)O6 octahedra. The corner-sharing octahedral tilt angles range from 9-14°. In the fifth Li site, Li(5) is bonded to one O(15), one O(2), one O(4), one O(5), one O(7), and one O(9) atom to form LiO6 octahedra that share corners with three equivalent Co(2)O6 octahedra, corners with three equivalent Co(5)O6 octahedra,  an edgeedge with one Li(1)O6 octahedra,  an edgeedge with one Li(2)O6 octahedra,  an edgeedge with one Co(3)O6 octahedra,  an edgeedge with one Co(6)O6 octahedra, edges with two equivalent Li(4)O6 octahedra, edges with two equivalent Mn(2)O6 octahedra, and edges with two equivalent Co(4)O6 octahedra. The corner-sharing octahedral tilt angles range from 9-15°. In the sixth Li site, Li(6) is bonded to one O(1), one O(10), one O(16), one O(3), one O(6), and one O(8) atom to form LiO6 octahedra that share corners with three equivalent Co(2)O6 octahedra, corners with three equivalent Co(5)O6 octahedra,  an edgeedge with one Li(1)O6 octahedra,  an edgeedge with one Li(2)O6 octahedra,  an edgeedge with one Co(3)O6 octahedra,  an edgeedge with one Co(6)O6 octahedra, edges with two equivalent Li(3)O6 octahedra, edges with two equivalent Mn(1)O6 octahedra, and edges with two equivalent Co(1)O6 octahedra. The corner-sharing octahedral tilt angles range from 7-11°. There are two inequivalent Mn sites. In the first Mn site, Mn(1) is bonded to one O(1), one O(10), one O(12), one O(14), one O(16), and one O(3) atom to form MnO6 octahedra that share corners with three equivalent Li(1)O6 octahedra, corners with three equivalent Li(2)O6 octahedra,  an edgeedge with one Co(2)O6 octahedra,  an edgeedge with one Co(3)O6 octahedra,  an edgeedge with one Co(5)O6 octahedra,  an edgeedge with one Co(6)O6 octahedra, edges with two equivalent Li(3)O6 octahedra, edges with two equivalent Li(6)O6 octahedra, and edges with two equivalent Co(1)O6 octahedra. The corner-sharing octahedral tilt angles range from 3-8°. In the second Mn site, Mn(2) is bonded to one O(11), one O(13), one O(15), one O(2), one O(4), and one O(9) atom to form MnO6 octahedra that share corners with three equivalent Li(1)O6 octahedra, corners with three equivalent Li(2)O6 octahedra,  an edgeedge with one Co(2)O6 octahedra,  an edgeedge with one Co(3)O6 octahedra,  an edgeedge with one Co(5)O6 octahedra,  an edgeedge with one Co(6)O6 octahedra, edges with two equivalent Li(4)O6 octahedra, edges with two equivalent Li(5)O6 octahedra, and edges with two equivalent Co(4)O6 octahedra. The corner-sharing octahedral tilt angles range from 1-11°. There are six inequivalent Co sites. In the first Co site, Co(1) is bonded to one O(10), one O(12), one O(14), one O(16), one O(6), and one O(8) atom to form CoO6 octahedra that share  an edgeedge with one Li(1)O6 octahedra,  an edgeedge with one Li(2)O6 octahedra,  an edgeedge with one Co(2)O6 octahedra,  an edgeedge with one Co(3)O6 octahedra,  an edgeedge with one Co(5)O6 octahedra,  an edgeedge with one Co(6)O6 octahedra, edges with two equivalent Li(3)O6 octahedra, edges with two equivalent Li(6)O6 octahedra, and edges with two equivalent Mn(1)O6 octahedra. In the second Co site, Co(2) is bonded to one O(10), one O(15), one O(2), one O(3), one O(6), and one O(7) atom to form CoO6 octahedra that share corners with three equivalent Li(5)O6 octahedra, corners with three 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 Mn(1)O6 octahedra,  an edgeedge with one Mn(2)O6 octahedra,  an edgeedge with one Co(1)O6 octahedra,  an edgeedge with one Co(4)O6 octahedra, edges with two equivalent Li(2)O6 octahedra, and edges with two equivalent Co(3)O6 octahedra. The corner-sharing octahedral tilt angles range from 8-15°. In the third Co site, Co(3) is bonded to one O(12), one O(13), one O(2), one O(3), one O(6), and one O(7) atom to form CoO6 octahedra that share corners with three equivalent Li(3)O6 octahedra, corners with three equivalent Li(4)O6 octahedra,  an edgeedge with one Li(5)O6 octahedra,  an edgeedge with one Li(6)O6 octahedra,  an edgeedge with one Mn(1)O6 octahedra,  an edgeedge with one Mn(2)O6 octahedra,  an edgeedge with one Co(1)O6 octahedra,  an edgeedge with one Co(4)O6 octahedra, edges with two equivalent Li(2)O6 octahedra, and edges with two equivalent Co(2)O6 octahedra. The corner-sharing octahedral tilt angles range from 8-14°. In the fourth Co site, Co(4) is bonded to one O(11), one O(13), one O(15), one O(5), one O(7), and one O(9) atom to form CoO6 octahedra that share  an edgeedge with one Li(1)O6 octahedra,  an edgeedge with one Li(2)O6 octahedra,  an edgeedge with one Co(2)O6 octahedra,  an edgeedge with one Co(3)O6 octahedra,  an edgeedge with one Co(5)O6 octahedra,  an edgeedge with one Co(6)O6 octahedra, edges with two equivalent Li(4)O6 octahedra, edges with two equivalent Li(5)O6 octahedra, and edges with two equivalent Mn(2)O6 octahedra. In the fifth Co site, Co(5) is bonded to one O(1), one O(16), one O(4), one O(5), one O(8), and one O(9) atom to form CoO6 octahedra that share corners with three equivalent Li(5)O6 octahedra, corners with three 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 Mn(1)O6 octahedra,  an edgeedge with one Mn(2)O6 octahedra,  an edgeedge with one Co(1)O6 octahedra,  an edgeedge with one Co(4)O6 octahedra, edges with two equivalent Li(1)O6 octahedra, and edges with two equivalent Co(6)O6 octahedra. The corner-sharing octahedral tilt angles range from 7-14°. In the sixth Co site, Co(6) is bonded to one O(1), one O(11), one O(14), one O(4), one O(5), and one O(8) atom to form CoO6 octahedra that share corners with three equivalent Li(3)O6 octahedra, corners with three equivalent Li(4)O6 octahedra,  an edgeedge with one Li(5)O6 octahedra,  an edgeedge with one Li(6)O6 octahedra,  an edgeedge with one Mn(1)O6 octahedra,  an edgeedge with one Mn(2)O6 octahedra,  an edgeedge with one Co(1)O6 octahedra,  an edgeedge with one Co(4)O6 octahedra, edges with two equivalent Li(1)O6 octahedra, and edges with two equivalent Co(5)O6 octahedra. The corner-sharing octahedral tilt angles range from 7-14°. There are sixteen inequivalent O sites. In the first O site, O(1) is bonded to one Li(1), one Li(3), one Li(6), one Mn(1), one Co(5), and one Co(6) atom to form OLi3MnCo2 octahedra that share corners with three equivalent O(3)Li3MnCo2 octahedra, corners with three equivalent O(4)Li3MnCo2 octahedra,  an edgeedge with one O(5)Li2Co3 square pyramid,  an edgeedge with one O(6)Li2Co3 square pyramid,  an edgeedge with one O(10)Li2MnCo2 square pyramid,  an edgeedge with one O(11)Li2MnCo2 square pyramid,  an edgeedge with one O(12)Li2MnCo2 square pyramid,  an edgeedge with one O(9)Li2MnCo2 square pyramid, edges with two equivalent O(8)Li2Co3 square pyramids, edges with two equivalent O(14)Li2MnCo2 square pyramids, and edges with two equivalent O(16)Li2MnCo2 square pyramids. The corner-sharing octahedral tilt angles range from 1-3°. In the second O site, O(2) is bonded to one Li(2), one Li(4), one Li(5), one Mn(2), one Co(2), and one Co(3) atom to form OLi3MnCo2 octahedra that share corners with three equivalent O(3)Li3MnCo2 octahedra, corners with three equivalent O(4)Li3MnCo2 octahedra,  an edgeedge with one O(5)Li2Co3 square pyramid,  an edgeedge with one O(6)Li2Co3 square pyramid,  an edgeedge with one O(10)Li2MnCo2 square pyramid,  an edgeedge with one O(11)Li2MnCo2 square pyramid,  an edgeedge with one O(12)Li2MnCo2 square pyramid,  an edgeedge with one O(9)Li2MnCo2 square pyramid, edges with two equivalent O(7)Li2Co3 square pyramids, edges with two equivalent O(13)Li2MnCo2 square pyramids, and edges with two equivalent O(15)Li2MnCo2 square pyramids. The corner-sharing octahedral tilt angles range from 1-3°. In the third O site, O(3) is bonded to one Li(2), one Li(3), one Li(6), one Mn(1), one Co(2), and one Co(3) atom to form OLi3MnCo2 octahedra that share corners with three equivalent O(1)Li3MnCo2 octahedra, corners with three equivalent O(2)Li3MnCo2 octahedra,  an edgeedge with one O(7)Li2Co3 square pyramid,  an edgeedge with one O(8)Li2Co3 square pyramid,  an edgeedge with one O(13)Li2MnCo2 square pyramid,  an edgeedge with one O(14)Li2MnCo2 square pyramid,  an edgeedge with one O(15)Li2MnCo2 square pyramid,  an edgeedge with one O(16)Li2MnCo2 square pyramid, edges with two equivalent O(6)Li2Co3 square pyramids, edges with two equivalent O(10)Li2MnCo2 square pyramids, and edges with two equivalent O(12)Li2MnCo2 square pyramids. The corner-sharing octahedral tilt angles range from 1-3°. In the fourth O site, O(4) is bonded to one Li(1), one Li(4), one Li(5), one Mn(2), one Co(5), and one Co(6) atom to form OLi3MnCo2 octahedra that share corners with three equivalent O(1)Li3MnCo2 octahedra, corners with three equivalent O(2)Li3MnCo2 octahedra,  an edgeedge with one O(7)Li2Co3 square pyramid,  an edgeedge with one O(8)Li2Co3 square pyramid,  an edgeedge with one O(13)Li2MnCo2 square pyramid,  an edgeedge with one O(14)Li2MnCo2 square pyramid,  an edgeedge with one O(15)Li2MnCo2 square pyramid,  an edgeedge with one O(16)Li2MnCo2 square pyramid, edges with two equivalent O(5)Li2Co3 square pyramids, edges with two equivalent O(11)Li2MnCo2 square pyramids, and edges with two equivalent O(9)Li2MnCo2 square pyramids. The corner-sharing octahedral tilt angles range from 1-3°. In the fifth O site, O(5) is bonded to one Li(4), one Li(5), one Co(4), one Co(5), and one Co(6) atom to form OLi2Co3 square pyramids that share  a cornercorner with one O(11)Li2MnCo2 square pyramid,  a cornercorner with one O(14)Li2MnCo2 square pyramid,  a cornercorner with one O(16)Li2MnCo2 square pyramid,  a cornercorner with one O(9)Li2MnCo2 square pyramid, corners with two equivalent O(8)Li2Co3 square pyramids, corners with three equivalent O(7)Li2Co3 square pyramids,  an edgeedge with one O(1)Li3MnCo2 octahedra,  an edgeedge with one O(2)Li3MnCo2 octahedra, edges with two equivalent O(4)Li3MnCo2 octahedra,  an edgeedge with one O(11)Li2MnCo2 square pyramid,  an edgeedge with one O(13)Li2MnCo2 square pyramid,  an edgeedge with one O(15)Li2MnCo2 square pyramid, and  an edgeedge with one O(9)Li2MnCo2 square pyramid. In the sixth O site, O(6) is bonded to one Li(3), one Li(6), one Co(1), one Co(2), and one Co(3) atom to form OLi2Co3 square pyramids that share  a cornercorner with one O(10)Li2MnCo2 square pyramid,  a cornercorner with one O(12)Li2MnCo2 square pyramid,  a cornercorner with one O(13)Li2MnCo2 square pyramid,  a cornercorner with one O(15)Li2MnCo2 square pyramid, corners with two equivalent O(7)Li2Co3 square pyramids, corners with three equivalent O(8)Li2Co3 square pyramids,  an edgeedge with one O(1)Li3MnCo2 octahedra,  an edgeedge with one O(2)Li3MnCo2 octahedra, edges with two equivalent O(3)Li3MnCo2 octahedra,  an edgeedge with one O(10)Li2MnCo2 square pyramid,  an edgeedge with one O(12)Li2MnCo2 square pyramid,  an edgeedge with one O(14)Li2MnCo2 square pyramid, and  an edgeedge with one O(16)Li2MnCo2 square pyramid. In the seventh O site, O(7) is bonded to one Li(4), one Li(5), one Co(2), one Co(3), and one Co(4) atom to form OLi2Co3 square pyramids that share  a cornercorner with one O(10)Li2MnCo2 square pyramid,  a cornercorner with one O(12)Li2MnCo2 square pyramid,  a cornercorner with one O(13)Li2MnCo2 square pyramid,  a cornercorner with one O(15)Li2MnCo2 square pyramid, corners with two equivalent O(6)Li2Co3 square pyramids, corners with three equivalent O(5)Li2Co3 square pyramids,  an edgeedge with one O(3)Li3MnCo2 octahedra,  an edgeedge with one O(4)Li3MnCo2 octahedra, edges with two equivalent O(2)Li3MnCo2 octahedra,  an edgeedge with one O(11)Li2MnCo2 square pyramid,  an edgeedge with one O(13)Li2MnCo2 square pyramid,  an edgeedge with one O(15)Li2MnCo2 square pyramid, and  an edgeedge with one O(9)Li2MnCo2 square pyramid. In the eighth O site, O(8) is bonded to one Li(3), one Li(6), one Co(1), one Co(5), and one Co(6) atom to form OLi2Co3 square pyramids that share  a cornercorner with one O(11)Li2MnCo2 square pyramid,  a cornercorner with one O(14)Li2MnCo2 square pyramid,  a cornercorner with one O(16)Li2MnCo2 square pyramid,  a cornercorner with one O(9)Li2MnCo2 square pyramid, corners with two equivalent O(5)Li2Co3 square pyramids, corners with three equivalent O(6)Li2Co3 square pyramids,  an edgeedge with one O(3)Li3MnCo2 octahedra,  an edgeedge with one O(4)Li3MnCo2 octahedra, edges with two equivalent O(1)Li3MnCo2 octahedra,  an edgeedge with one O(10)Li2MnCo2 square pyramid,  an edgeedge with one O(12)Li2MnCo2 square pyramid,  an edgeedge with one O(14)Li2MnCo2 square pyramid, and  an edgeedge with one O(16)Li2MnCo2 square pyramid. In the ninth O site, O(9) is bonded to one Li(1), one Li(5), one Mn(2), one Co(4), and one Co(5) atom to form OLi2MnCo2 square pyramids that share  a cornercorner with one O(5)Li2Co3 square pyramid,  a cornercorner with one O(8)Li2Co3 square pyramid,  a cornercorner with one O(11)Li2MnCo2 square pyramid,  a cornercorner with one O(14)Li2MnCo2 square pyramid, corners with two equivalent O(16)Li2MnCo2 square pyramids, corners with three equivalent O(15)Li2MnCo2 square pyramids,  an edgeedge with one O(1)Li3MnCo2 octahedra,  an edgeedge with one O(2)Li3MnCo2 octahedra, edges with two equivalent O(4)Li3MnCo2 octahedra,  an edgeedge with one O(5)Li2Co3 square pyramid,  an edgeedge with one O(7)Li2Co3 square pyramid,  an edgeedge with one O(11)Li2MnCo2 square pyramid, and  an edgeedge with one O(13)Li2MnCo2 square pyramid. In the tenth O site, O(10) is bonded to one Li(2), one Li(6), one Mn(1), one Co(1), and one Co(2) atom to form OLi2MnCo2 square pyramids that share  a cornercorner with one O(6)Li2Co3 square pyramid,  a cornercorner with one O(7)Li2Co3 square pyramid,  a cornercorner with one O(12)Li2MnCo2 square pyramid,  a cornercorner with one O(13)Li2MnCo2 square pyramid, corners with two equivalent O(15)Li2MnCo2 square pyramids, corners with three equivalent O(16)Li2MnCo2 square pyramids,  an edgeedge with one O(1)Li3MnCo2 octahedra,  an edgeedge with one O(2)Li3MnCo2 octahedra, edges with two equivalent O(3)Li3MnCo2 octahedra,  an edgeedge with one O(6)Li2Co3 square pyramid,  an edgeedge with one O(8)Li2Co3 square pyramid,  an edgeedge with one O(12)Li2MnCo2 square pyramid, and  an edgeedge with one O(14)Li2MnCo2 square pyramid. In the eleventh O site, O(11) is bonded to one Li(1), one Li(4), one Mn(2), one Co(4), and one Co(6) atom to form OLi2MnCo2 square pyramids that share  a cornercorner with one O(5)Li2Co3 square pyramid,  a cornercorner with one O(8)Li2Co3 square pyramid,  a cornercorner with one O(16)Li2MnCo2 square pyramid,  a cornercorner with one O(9)Li2MnCo2 square pyramid, corners with two equivalent O(14)Li2MnCo2 square pyramids, corners with three equivalent O(13)Li2MnCo2 square pyramids,  an edgeedge with one O(1)Li3MnCo2 octahedra,  an edgeedge with one O(2)Li3MnCo2 octahedra, edges with two equivalent O(4)Li3MnCo2 octahedra,  an edgeedge with one O(5)Li2Co3 square pyramid,  an edgeedge with one O(7)Li2Co3 square pyramid,  an edgeedge with one O(15)Li2MnCo2 square pyramid, and  an edgeedge with one O(9)Li2MnCo2 square pyramid. In the twelfth O site, O(12) is bonded to one Li(2), one Li(3), one Mn(1), one Co(1), and one Co(3) atom to form OLi2MnCo2 square pyramids that share  a cornercorner with one O(6)Li2Co3 square pyramid,  a cornercorner with one O(7)Li2Co3 square pyramid,  a cornercorner with one O(10)Li2MnCo2 square pyramid,  a cornercorner with one O(15)Li2MnCo2 square pyramid, corners with two equivalent O(13)Li2MnCo2 square pyramids, corners with three equivalent O(14)Li2MnCo2 square pyramids,  an edgeedge with one O(1)Li3MnCo2 octahedra,  an edgeedge with one O(2)Li3MnCo2 octahedra, edges with two equivalent O(3)Li3MnCo2 octahedra,  an edgeedge with one O(6)Li2Co3 square pyramid,  an edgeedge with one O(8)Li2Co3 square pyramid,  an edgeedge with one O(10)Li2MnCo2 square pyramid, and  an edgeedge with one O(16)Li2MnCo2 square pyramid. In the thirteenth O site, O(13) is bonded to one Li(2), one Li(4), one Mn(2), one Co(3), and one Co(4) atom to form OLi2MnCo2 square pyramids that share  a cornercorner with one O(6)Li2Co3 square pyramid,  a cornercorner with one O(7)Li2Co3 square pyramid,  a cornercorner with one O(10)Li2MnCo2 square pyramid,  a cornercorner with one O(15)Li2MnCo2 square pyramid, corners with two equivalent O(12)Li2MnCo2 square pyramids, corners with three equivalent O(11)Li2MnCo2 square pyramids,  an edgeedge with one O(3)Li3MnCo2 octahedra,  an edgeedge with one O(4)Li3MnCo2 octahedra, edges with two equivalent O(2)Li3MnCo2 octahedra,  an edgeedge with one O(5)Li2Co3 square pyramid,  an edgeedge with one O(7)Li2Co3 square pyramid,  an edgeedge with one O(15)Li2MnCo2 square pyramid, and  an edgeedge with one O(9)Li2MnCo2 square pyramid. In the fourteenth O site, O(14) is bonded to one Li(1), one Li(3), one Mn(1), one Co(1), and one Co(6) atom to form OLi2MnCo2 square pyramids that share  a cornercorner with one O(5)Li2Co3 square pyramid,  a cornercorner with one O(8)Li2Co3 square pyramid,  a cornercorner with one O(16)Li2MnCo2 square pyramid,  a cornercorner with one O(9)Li2MnCo2 square pyramid, corners with two equivalent O(11)Li2MnCo2 square pyramids, corners with three equivalent O(12)Li2MnCo2 square pyramids,  an edgeedge with one O(3)Li3MnCo2 octahedra,  an edgeedge with one O(4)Li3MnCo2 octahedra, edges with two equivalent O(1)Li3MnCo2 octahedra,  an edgeedge with one O(6)Li2Co3 square pyramid,  an edgeedge with one O(8)Li2Co3 square pyramid,  an edgeedge with one O(10)Li2MnCo2 square pyramid, and  an edgeedge with one O(16)Li2MnCo2 square pyramid. In the fifteenth O site, O(15) is bonded to one Li(2), one Li(5), one Mn(2), one Co(2), and one Co(4) atom to form OLi2MnCo2 square pyramids that share  a cornercorner with one O(6)Li2Co3 square pyramid,  a cornercorner with one O(7)Li2Co3 square pyramid,  a cornercorner with one O(12)Li2MnCo2 square pyramid,  a cornercorner with one O(13)Li2MnCo2 square pyramid, corners with two equivalent O(10)Li2MnCo2 square pyramids, corners with three equivalent O(9)Li2MnCo2 square pyramids,  an edgeedge with one O(3)Li3MnCo2 octahedra,  an edgeedge with one O(4)Li3MnCo2 octahedra, edges with two equivalent O(2)Li3MnCo2 octahedra,  an edgeedge with one O(5)Li2Co3 square pyramid,  an edgeedge with one O(7)Li2Co3 square pyramid,  an edgeedge with one O(11)Li2MnCo2 square pyramid, and  an edgeedge with one O(13)Li2MnCo2 square pyramid. In the sixteenth O site, O(16) is bonded to one Li(1), one Li(6), one Mn(1), one Co(1), and one Co(5) atom to form OLi2MnCo2 square pyramids that share  a cornercorner with one O(5)Li2Co3 square pyramid,  a cornercorner with one O(8)Li2Co3 square pyramid,  a cornercorner with one O(11)Li2MnCo2 square pyramid,  a cornercorner with one O(14)Li2MnCo2 square pyramid, corners with two equivalent O(9)Li2MnCo2 square pyramids, corners with three equivalent O(10)Li2MnCo2 square pyramids,  an edgeedge with one O(3)Li3MnCo2 octahedra,  an edgeedge with one O(4)Li3MnCo2 octahedra, edges with two equivalent O(1)Li3MnCo2 octahedra,  an edgeedge with one O(6)Li2Co3 square pyramid,  an edgeedge with one O(8)Li2Co3 square pyramid,  an edgeedge with one O(12)Li2MnCo2 square pyramid, and  an edgeedge with one O(14)Li2MnCo2 square pyramid. is represented by the CIF card [CIF]
data_Li3MnCo3O8
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   5.722
_cell_length_b   5.821
_cell_length_c   5.901
_cell_angle_alpha   91.708
_cell_angle_beta   118.875
_cell_angle_gamma   118.588
_symmetry_Int_Tables_number   1
_cell_volume   142.172
_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  0.500  1.000  1.000  1.0
  Co  Co1  1  0.998  0.499  0.999  1.0
  Co  Co2  1  0.501  0.502  0.001  1.0
  Li  Li3  1  1.000  0.499  0.501  1.0
  Li  Li4  1  0.500  1.000  0.500  1.0
  Li  Li5  1  0.000  0.000  0.501  1.0
  Mn  Mn6  1  0.001  0.000  1.000  1.0
  O  O7  1  0.006  0.241  0.775  1.0
  O  O8  1  0.994  0.760  0.224  1.0
  O  O9  1  0.487  0.757  0.209  1.0
  O  O10  1  0.512  0.242  0.792  1.0
  O  O11  1  0.038  0.780  0.783  1.0
  O  O12  1  0.530  0.777  0.782  1.0
  O  O13  1  0.471  0.223  0.217  1.0
  O  O14  1  0.962  0.220  0.217  1.0
[/CIF]
.
The crystal structure described by Li3MnCo3O8 crystallizes in the triclinic P1 space group. There are six inequivalent Li sites. In the first Li site, Li(1) is bonded to one O(1), one O(11), one O(14), one O(16), one O(4), and one O(9) atom to form LiO6 octahedra that share corners with three equivalent Mn(1)O6 octahedra, corners with three equivalent Mn(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 Co(1)O6 octahedra,  an edgeedge with one Co(4)O6 octahedra, edges with two equivalent Co(5)O6 octahedra, and edges with two equivalent Co(6)O6 octahedra. The corner-sharing octahedral tilt angles range from 1-9°. In the second Li site, Li(2) is bonded to one O(10), one O(12), one O(13), one O(15), one O(2), and one O(3) atom to form LiO6 octahedra that share corners with three equivalent Mn(1)O6 octahedra, corners with three equivalent Mn(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 Co(1)O6 octahedra,  an edgeedge with one Co(4)O6 octahedra, edges with two equivalent Co(2)O6 octahedra, and edges with two equivalent Co(3)O6 octahedra. The corner-sharing octahedral tilt angles range from 2-11°. In the third Li site, Li(3) 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 Co(3)O6 octahedra, corners with three equivalent Co(6)O6 octahedra,  an edgeedge with one Li(1)O6 octahedra,  an edgeedge with one Li(2)O6 octahedra,  an edgeedge with one Co(2)O6 octahedra,  an edgeedge with one Co(5)O6 octahedra, edges with two equivalent Li(6)O6 octahedra, edges with two equivalent Mn(1)O6 octahedra, and edges with two equivalent Co(1)O6 octahedra. The corner-sharing octahedral tilt angles range from 7-11°. In the fourth Li site, Li(4) 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 Co(3)O6 octahedra, corners with three equivalent Co(6)O6 octahedra,  an edgeedge with one Li(1)O6 octahedra,  an edgeedge with one Li(2)O6 octahedra,  an edgeedge with one Co(2)O6 octahedra,  an edgeedge with one Co(5)O6 octahedra, edges with two equivalent Li(5)O6 octahedra, edges with two equivalent Mn(2)O6 octahedra, and edges with two equivalent Co(4)O6 octahedra. The corner-sharing octahedral tilt angles range from 9-14°. In the fifth Li site, Li(5) is bonded to one O(15), one O(2), one O(4), one O(5), one O(7), and one O(9) atom to form LiO6 octahedra that share corners with three equivalent Co(2)O6 octahedra, corners with three equivalent Co(5)O6 octahedra,  an edgeedge with one Li(1)O6 octahedra,  an edgeedge with one Li(2)O6 octahedra,  an edgeedge with one Co(3)O6 octahedra,  an edgeedge with one Co(6)O6 octahedra, edges with two equivalent Li(4)O6 octahedra, edges with two equivalent Mn(2)O6 octahedra, and edges with two equivalent Co(4)O6 octahedra. The corner-sharing octahedral tilt angles range from 9-15°. In the sixth Li site, Li(6) is bonded to one O(1), one O(10), one O(16), one O(3), one O(6), and one O(8) atom to form LiO6 octahedra that share corners with three equivalent Co(2)O6 octahedra, corners with three equivalent Co(5)O6 octahedra,  an edgeedge with one Li(1)O6 octahedra,  an edgeedge with one Li(2)O6 octahedra,  an edgeedge with one Co(3)O6 octahedra,  an edgeedge with one Co(6)O6 octahedra, edges with two equivalent Li(3)O6 octahedra, edges with two equivalent Mn(1)O6 octahedra, and edges with two equivalent Co(1)O6 octahedra. The corner-sharing octahedral tilt angles range from 7-11°. There are two inequivalent Mn sites. In the first Mn site, Mn(1) is bonded to one O(1), one O(10), one O(12), one O(14), one O(16), and one O(3) atom to form MnO6 octahedra that share corners with three equivalent Li(1)O6 octahedra, corners with three equivalent Li(2)O6 octahedra,  an edgeedge with one Co(2)O6 octahedra,  an edgeedge with one Co(3)O6 octahedra,  an edgeedge with one Co(5)O6 octahedra,  an edgeedge with one Co(6)O6 octahedra, edges with two equivalent Li(3)O6 octahedra, edges with two equivalent Li(6)O6 octahedra, and edges with two equivalent Co(1)O6 octahedra. The corner-sharing octahedral tilt angles range from 3-8°. In the second Mn site, Mn(2) is bonded to one O(11), one O(13), one O(15), one O(2), one O(4), and one O(9) atom to form MnO6 octahedra that share corners with three equivalent Li(1)O6 octahedra, corners with three equivalent Li(2)O6 octahedra,  an edgeedge with one Co(2)O6 octahedra,  an edgeedge with one Co(3)O6 octahedra,  an edgeedge with one Co(5)O6 octahedra,  an edgeedge with one Co(6)O6 octahedra, edges with two equivalent Li(4)O6 octahedra, edges with two equivalent Li(5)O6 octahedra, and edges with two equivalent Co(4)O6 octahedra. The corner-sharing octahedral tilt angles range from 1-11°. There are six inequivalent Co sites. In the first Co site, Co(1) is bonded to one O(10), one O(12), one O(14), one O(16), one O(6), and one O(8) atom to form CoO6 octahedra that share  an edgeedge with one Li(1)O6 octahedra,  an edgeedge with one Li(2)O6 octahedra,  an edgeedge with one Co(2)O6 octahedra,  an edgeedge with one Co(3)O6 octahedra,  an edgeedge with one Co(5)O6 octahedra,  an edgeedge with one Co(6)O6 octahedra, edges with two equivalent Li(3)O6 octahedra, edges with two equivalent Li(6)O6 octahedra, and edges with two equivalent Mn(1)O6 octahedra. In the second Co site, Co(2) is bonded to one O(10), one O(15), one O(2), one O(3), one O(6), and one O(7) atom to form CoO6 octahedra that share corners with three equivalent Li(5)O6 octahedra, corners with three 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 Mn(1)O6 octahedra,  an edgeedge with one Mn(2)O6 octahedra,  an edgeedge with one Co(1)O6 octahedra,  an edgeedge with one Co(4)O6 octahedra, edges with two equivalent Li(2)O6 octahedra, and edges with two equivalent Co(3)O6 octahedra. The corner-sharing octahedral tilt angles range from 8-15°. In the third Co site, Co(3) is bonded to one O(12), one O(13), one O(2), one O(3), one O(6), and one O(7) atom to form CoO6 octahedra that share corners with three equivalent Li(3)O6 octahedra, corners with three equivalent Li(4)O6 octahedra,  an edgeedge with one Li(5)O6 octahedra,  an edgeedge with one Li(6)O6 octahedra,  an edgeedge with one Mn(1)O6 octahedra,  an edgeedge with one Mn(2)O6 octahedra,  an edgeedge with one Co(1)O6 octahedra,  an edgeedge with one Co(4)O6 octahedra, edges with two equivalent Li(2)O6 octahedra, and edges with two equivalent Co(2)O6 octahedra. The corner-sharing octahedral tilt angles range from 8-14°. In the fourth Co site, Co(4) is bonded to one O(11), one O(13), one O(15), one O(5), one O(7), and one O(9) atom to form CoO6 octahedra that share  an edgeedge with one Li(1)O6 octahedra,  an edgeedge with one Li(2)O6 octahedra,  an edgeedge with one Co(2)O6 octahedra,  an edgeedge with one Co(3)O6 octahedra,  an edgeedge with one Co(5)O6 octahedra,  an edgeedge with one Co(6)O6 octahedra, edges with two equivalent Li(4)O6 octahedra, edges with two equivalent Li(5)O6 octahedra, and edges with two equivalent Mn(2)O6 octahedra. In the fifth Co site, Co(5) is bonded to one O(1), one O(16), one O(4), one O(5), one O(8), and one O(9) atom to form CoO6 octahedra that share corners with three equivalent Li(5)O6 octahedra, corners with three 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 Mn(1)O6 octahedra,  an edgeedge with one Mn(2)O6 octahedra,  an edgeedge with one Co(1)O6 octahedra,  an edgeedge with one Co(4)O6 octahedra, edges with two equivalent Li(1)O6 octahedra, and edges with two equivalent Co(6)O6 octahedra. The corner-sharing octahedral tilt angles range from 7-14°. In the sixth Co site, Co(6) is bonded to one O(1), one O(11), one O(14), one O(4), one O(5), and one O(8) atom to form CoO6 octahedra that share corners with three equivalent Li(3)O6 octahedra, corners with three equivalent Li(4)O6 octahedra,  an edgeedge with one Li(5)O6 octahedra,  an edgeedge with one Li(6)O6 octahedra,  an edgeedge with one Mn(1)O6 octahedra,  an edgeedge with one Mn(2)O6 octahedra,  an edgeedge with one Co(1)O6 octahedra,  an edgeedge with one Co(4)O6 octahedra, edges with two equivalent Li(1)O6 octahedra, and edges with two equivalent Co(5)O6 octahedra. The corner-sharing octahedral tilt angles range from 7-14°. There are sixteen inequivalent O sites. In the first O site, O(1) is bonded to one Li(1), one Li(3), one Li(6), one Mn(1), one Co(5), and one Co(6) atom to form OLi3MnCo2 octahedra that share corners with three equivalent O(3)Li3MnCo2 octahedra, corners with three equivalent O(4)Li3MnCo2 octahedra,  an edgeedge with one O(5)Li2Co3 square pyramid,  an edgeedge with one O(6)Li2Co3 square pyramid,  an edgeedge with one O(10)Li2MnCo2 square pyramid,  an edgeedge with one O(11)Li2MnCo2 square pyramid,  an edgeedge with one O(12)Li2MnCo2 square pyramid,  an edgeedge with one O(9)Li2MnCo2 square pyramid, edges with two equivalent O(8)Li2Co3 square pyramids, edges with two equivalent O(14)Li2MnCo2 square pyramids, and edges with two equivalent O(16)Li2MnCo2 square pyramids. The corner-sharing octahedral tilt angles range from 1-3°. In the second O site, O(2) is bonded to one Li(2), one Li(4), one Li(5), one Mn(2), one Co(2), and one Co(3) atom to form OLi3MnCo2 octahedra that share corners with three equivalent O(3)Li3MnCo2 octahedra, corners with three equivalent O(4)Li3MnCo2 octahedra,  an edgeedge with one O(5)Li2Co3 square pyramid,  an edgeedge with one O(6)Li2Co3 square pyramid,  an edgeedge with one O(10)Li2MnCo2 square pyramid,  an edgeedge with one O(11)Li2MnCo2 square pyramid,  an edgeedge with one O(12)Li2MnCo2 square pyramid,  an edgeedge with one O(9)Li2MnCo2 square pyramid, edges with two equivalent O(7)Li2Co3 square pyramids, edges with two equivalent O(13)Li2MnCo2 square pyramids, and edges with two equivalent O(15)Li2MnCo2 square pyramids. The corner-sharing octahedral tilt angles range from 1-3°. In the third O site, O(3) is bonded to one Li(2), one Li(3), one Li(6), one Mn(1), one Co(2), and one Co(3) atom to form OLi3MnCo2 octahedra that share corners with three equivalent O(1)Li3MnCo2 octahedra, corners with three equivalent O(2)Li3MnCo2 octahedra,  an edgeedge with one O(7)Li2Co3 square pyramid,  an edgeedge with one O(8)Li2Co3 square pyramid,  an edgeedge with one O(13)Li2MnCo2 square pyramid,  an edgeedge with one O(14)Li2MnCo2 square pyramid,  an edgeedge with one O(15)Li2MnCo2 square pyramid,  an edgeedge with one O(16)Li2MnCo2 square pyramid, edges with two equivalent O(6)Li2Co3 square pyramids, edges with two equivalent O(10)Li2MnCo2 square pyramids, and edges with two equivalent O(12)Li2MnCo2 square pyramids. The corner-sharing octahedral tilt angles range from 1-3°. In the fourth O site, O(4) is bonded to one Li(1), one Li(4), one Li(5), one Mn(2), one Co(5), and one Co(6) atom to form OLi3MnCo2 octahedra that share corners with three equivalent O(1)Li3MnCo2 octahedra, corners with three equivalent O(2)Li3MnCo2 octahedra,  an edgeedge with one O(7)Li2Co3 square pyramid,  an edgeedge with one O(8)Li2Co3 square pyramid,  an edgeedge with one O(13)Li2MnCo2 square pyramid,  an edgeedge with one O(14)Li2MnCo2 square pyramid,  an edgeedge with one O(15)Li2MnCo2 square pyramid,  an edgeedge with one O(16)Li2MnCo2 square pyramid, edges with two equivalent O(5)Li2Co3 square pyramids, edges with two equivalent O(11)Li2MnCo2 square pyramids, and edges with two equivalent O(9)Li2MnCo2 square pyramids. The corner-sharing octahedral tilt angles range from 1-3°. In the fifth O site, O(5) is bonded to one Li(4), one Li(5), one Co(4), one Co(5), and one Co(6) atom to form OLi2Co3 square pyramids that share  a cornercorner with one O(11)Li2MnCo2 square pyramid,  a cornercorner with one O(14)Li2MnCo2 square pyramid,  a cornercorner with one O(16)Li2MnCo2 square pyramid,  a cornercorner with one O(9)Li2MnCo2 square pyramid, corners with two equivalent O(8)Li2Co3 square pyramids, corners with three equivalent O(7)Li2Co3 square pyramids,  an edgeedge with one O(1)Li3MnCo2 octahedra,  an edgeedge with one O(2)Li3MnCo2 octahedra, edges with two equivalent O(4)Li3MnCo2 octahedra,  an edgeedge with one O(11)Li2MnCo2 square pyramid,  an edgeedge with one O(13)Li2MnCo2 square pyramid,  an edgeedge with one O(15)Li2MnCo2 square pyramid, and  an edgeedge with one O(9)Li2MnCo2 square pyramid. In the sixth O site, O(6) is bonded to one Li(3), one Li(6), one Co(1), one Co(2), and one Co(3) atom to form OLi2Co3 square pyramids that share  a cornercorner with one O(10)Li2MnCo2 square pyramid,  a cornercorner with one O(12)Li2MnCo2 square pyramid,  a cornercorner with one O(13)Li2MnCo2 square pyramid,  a cornercorner with one O(15)Li2MnCo2 square pyramid, corners with two equivalent O(7)Li2Co3 square pyramids, corners with three equivalent O(8)Li2Co3 square pyramids,  an edgeedge with one O(1)Li3MnCo2 octahedra,  an edgeedge with one O(2)Li3MnCo2 octahedra, edges with two equivalent O(3)Li3MnCo2 octahedra,  an edgeedge with one O(10)Li2MnCo2 square pyramid,  an edgeedge with one O(12)Li2MnCo2 square pyramid,  an edgeedge with one O(14)Li2MnCo2 square pyramid, and  an edgeedge with one O(16)Li2MnCo2 square pyramid. In the seventh O site, O(7) is bonded to one Li(4), one Li(5), one Co(2), one Co(3), and one Co(4) atom to form OLi2Co3 square pyramids that share  a cornercorner with one O(10)Li2MnCo2 square pyramid,  a cornercorner with one O(12)Li2MnCo2 square pyramid,  a cornercorner with one O(13)Li2MnCo2 square pyramid,  a cornercorner with one O(15)Li2MnCo2 square pyramid, corners with two equivalent O(6)Li2Co3 square pyramids, corners with three equivalent O(5)Li2Co3 square pyramids,  an edgeedge with one O(3)Li3MnCo2 octahedra,  an edgeedge with one O(4)Li3MnCo2 octahedra, edges with two equivalent O(2)Li3MnCo2 octahedra,  an edgeedge with one O(11)Li2MnCo2 square pyramid,  an edgeedge with one O(13)Li2MnCo2 square pyramid,  an edgeedge with one O(15)Li2MnCo2 square pyramid, and  an edgeedge with one O(9)Li2MnCo2 square pyramid. In the eighth O site, O(8) is bonded to one Li(3), one Li(6), one Co(1), one Co(5), and one Co(6) atom to form OLi2Co3 square pyramids that share  a cornercorner with one O(11)Li2MnCo2 square pyramid,  a cornercorner with one O(14)Li2MnCo2 square pyramid,  a cornercorner with one O(16)Li2MnCo2 square pyramid,  a cornercorner with one O(9)Li2MnCo2 square pyramid, corners with two equivalent O(5)Li2Co3 square pyramids, corners with three equivalent O(6)Li2Co3 square pyramids,  an edgeedge with one O(3)Li3MnCo2 octahedra,  an edgeedge with one O(4)Li3MnCo2 octahedra, edges with two equivalent O(1)Li3MnCo2 octahedra,  an edgeedge with one O(10)Li2MnCo2 square pyramid,  an edgeedge with one O(12)Li2MnCo2 square pyramid,  an edgeedge with one O(14)Li2MnCo2 square pyramid, and  an edgeedge with one O(16)Li2MnCo2 square pyramid. In the ninth O site, O(9) is bonded to one Li(1), one Li(5), one Mn(2), one Co(4), and one Co(5) atom to form OLi2MnCo2 square pyramids that share  a cornercorner with one O(5)Li2Co3 square pyramid,  a cornercorner with one O(8)Li2Co3 square pyramid,  a cornercorner with one O(11)Li2MnCo2 square pyramid,  a cornercorner with one O(14)Li2MnCo2 square pyramid, corners with two equivalent O(16)Li2MnCo2 square pyramids, corners with three equivalent O(15)Li2MnCo2 square pyramids,  an edgeedge with one O(1)Li3MnCo2 octahedra,  an edgeedge with one O(2)Li3MnCo2 octahedra, edges with two equivalent O(4)Li3MnCo2 octahedra,  an edgeedge with one O(5)Li2Co3 square pyramid,  an edgeedge with one O(7)Li2Co3 square pyramid,  an edgeedge with one O(11)Li2MnCo2 square pyramid, and  an edgeedge with one O(13)Li2MnCo2 square pyramid. In the tenth O site, O(10) is bonded to one Li(2), one Li(6), one Mn(1), one Co(1), and one Co(2) atom to form OLi2MnCo2 square pyramids that share  a cornercorner with one O(6)Li2Co3 square pyramid,  a cornercorner with one O(7)Li2Co3 square pyramid,  a cornercorner with one O(12)Li2MnCo2 square pyramid,  a cornercorner with one O(13)Li2MnCo2 square pyramid, corners with two equivalent O(15)Li2MnCo2 square pyramids, corners with three equivalent O(16)Li2MnCo2 square pyramids,  an edgeedge with one O(1)Li3MnCo2 octahedra,  an edgeedge with one O(2)Li3MnCo2 octahedra, edges with two equivalent O(3)Li3MnCo2 octahedra,  an edgeedge with one O(6)Li2Co3 square pyramid,  an edgeedge with one O(8)Li2Co3 square pyramid,  an edgeedge with one O(12)Li2MnCo2 square pyramid, and  an edgeedge with one O(14)Li2MnCo2 square pyramid. In the eleventh O site, O(11) is bonded to one Li(1), one Li(4), one Mn(2), one Co(4), and one Co(6) atom to form OLi2MnCo2 square pyramids that share  a cornercorner with one O(5)Li2Co3 square pyramid,  a cornercorner with one O(8)Li2Co3 square pyramid,  a cornercorner with one O(16)Li2MnCo2 square pyramid,  a cornercorner with one O(9)Li2MnCo2 square pyramid, corners with two equivalent O(14)Li2MnCo2 square pyramids, corners with three equivalent O(13)Li2MnCo2 square pyramids,  an edgeedge with one O(1)Li3MnCo2 octahedra,  an edgeedge with one O(2)Li3MnCo2 octahedra, edges with two equivalent O(4)Li3MnCo2 octahedra,  an edgeedge with one O(5)Li2Co3 square pyramid,  an edgeedge with one O(7)Li2Co3 square pyramid,  an edgeedge with one O(15)Li2MnCo2 square pyramid, and  an edgeedge with one O(9)Li2MnCo2 square pyramid. In the twelfth O site, O(12) is bonded to one Li(2), one Li(3), one Mn(1), one Co(1), and one Co(3) atom to form OLi2MnCo2 square pyramids that share  a cornercorner with one O(6)Li2Co3 square pyramid,  a cornercorner with one O(7)Li2Co3 square pyramid,  a cornercorner with one O(10)Li2MnCo2 square pyramid,  a cornercorner with one O(15)Li2MnCo2 square pyramid, corners with two equivalent O(13)Li2MnCo2 square pyramids, corners with three equivalent O(14)Li2MnCo2 square pyramids,  an edgeedge with one O(1)Li3MnCo2 octahedra,  an edgeedge with one O(2)Li3MnCo2 octahedra, edges with two equivalent O(3)Li3MnCo2 octahedra,  an edgeedge with one O(6)Li2Co3 square pyramid,  an edgeedge with one O(8)Li2Co3 square pyramid,  an edgeedge with one O(10)Li2MnCo2 square pyramid, and  an edgeedge with one O(16)Li2MnCo2 square pyramid. In the thirteenth O site, O(13) is bonded to one Li(2), one Li(4), one Mn(2), one Co(3), and one Co(4) atom to form OLi2MnCo2 square pyramids that share  a cornercorner with one O(6)Li2Co3 square pyramid,  a cornercorner with one O(7)Li2Co3 square pyramid,  a cornercorner with one O(10)Li2MnCo2 square pyramid,  a cornercorner with one O(15)Li2MnCo2 square pyramid, corners with two equivalent O(12)Li2MnCo2 square pyramids, corners with three equivalent O(11)Li2MnCo2 square pyramids,  an edgeedge with one O(3)Li3MnCo2 octahedra,  an edgeedge with one O(4)Li3MnCo2 octahedra, edges with two equivalent O(2)Li3MnCo2 octahedra,  an edgeedge with one O(5)Li2Co3 square pyramid,  an edgeedge with one O(7)Li2Co3 square pyramid,  an edgeedge with one O(15)Li2MnCo2 square pyramid, and  an edgeedge with one O(9)Li2MnCo2 square pyramid. In the fourteenth O site, O(14) is bonded to one Li(1), one Li(3), one Mn(1), one Co(1), and one Co(6) atom to form OLi2MnCo2 square pyramids that share  a cornercorner with one O(5)Li2Co3 square pyramid,  a cornercorner with one O(8)Li2Co3 square pyramid,  a cornercorner with one O(16)Li2MnCo2 square pyramid,  a cornercorner with one O(9)Li2MnCo2 square pyramid, corners with two equivalent O(11)Li2MnCo2 square pyramids, corners with three equivalent O(12)Li2MnCo2 square pyramids,  an edgeedge with one O(3)Li3MnCo2 octahedra,  an edgeedge with one O(4)Li3MnCo2 octahedra, edges with two equivalent O(1)Li3MnCo2 octahedra,  an edgeedge with one O(6)Li2Co3 square pyramid,  an edgeedge with one O(8)Li2Co3 square pyramid,  an edgeedge with one O(10)Li2MnCo2 square pyramid, and  an edgeedge with one O(16)Li2MnCo2 square pyramid. In the fifteenth O site, O(15) is bonded to one Li(2), one Li(5), one Mn(2), one Co(2), and one Co(4) atom to form OLi2MnCo2 square pyramids that share  a cornercorner with one O(6)Li2Co3 square pyramid,  a cornercorner with one O(7)Li2Co3 square pyramid,  a cornercorner with one O(12)Li2MnCo2 square pyramid,  a cornercorner with one O(13)Li2MnCo2 square pyramid, corners with two equivalent O(10)Li2MnCo2 square pyramids, corners with three equivalent O(9)Li2MnCo2 square pyramids,  an edgeedge with one O(3)Li3MnCo2 octahedra,  an edgeedge with one O(4)Li3MnCo2 octahedra, edges with two equivalent O(2)Li3MnCo2 octahedra,  an edgeedge with one O(5)Li2Co3 square pyramid,  an edgeedge with one O(7)Li2Co3 square pyramid,  an edgeedge with one O(11)Li2MnCo2 square pyramid, and  an edgeedge with one O(13)Li2MnCo2 square pyramid. In the sixteenth O site, O(16) is bonded to one Li(1), one Li(6), one Mn(1), one Co(1), and one Co(5) atom to form OLi2MnCo2 square pyramids that share  a cornercorner with one O(5)Li2Co3 square pyramid,  a cornercorner with one O(8)Li2Co3 square pyramid,  a cornercorner with one O(11)Li2MnCo2 square pyramid,  a cornercorner with one O(14)Li2MnCo2 square pyramid, corners with two equivalent O(9)Li2MnCo2 square pyramids, corners with three equivalent O(10)Li2MnCo2 square pyramids,  an edgeedge with one O(3)Li3MnCo2 octahedra,  an edgeedge with one O(4)Li3MnCo2 octahedra, edges with two equivalent O(1)Li3MnCo2 octahedra,  an edgeedge with one O(6)Li2Co3 square pyramid,  an edgeedge with one O(8)Li2Co3 square pyramid,  an edgeedge with one O(12)Li2MnCo2 square pyramid, and  an edgeedge with one O(14)Li2MnCo2 square pyramid. is represented by the CIF card [CIF]
data_Li3MnCo3O8
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   5.722
_cell_length_b   5.821
_cell_length_c   5.901
_cell_angle_alpha   91.708
_cell_angle_beta   118.875
_cell_angle_gamma   118.588
_symmetry_Int_Tables_number   1
_cell_volume   142.172
_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  0.500  1.000  1.000  1.0
  Co  Co1  1  0.998  0.499  0.999  1.0
  Co  Co2  1  0.501  0.502  0.001  1.0
  Li  Li3  1  1.000  0.499  0.501  1.0
  Li  Li4  1  0.500  1.000  0.500  1.0
  Li  Li5  1  0.000  0.000  0.501  1.0
  Mn  Mn6  1  0.001  0.000  1.000  1.0
  O  O7  1  0.006  0.241  0.775  1.0
  O  O8  1  0.994  0.760  0.224  1.0
  O  O9  1  0.487  0.757  0.209  1.0
  O  O10  1  0.512  0.242  0.792  1.0
  O  O11  1  0.038  0.780  0.783  1.0
  O  O12  1  0.530  0.777  0.782  1.0
  O  O13  1  0.471  0.223  0.217  1.0
  O  O14  1  0.962  0.220  0.217  1.0
[/CIF]
.