Li3V3MnO8 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(13), one O(16), one O(2), one O(3), one O(5), and one O(8) atom to form LiO6 octahedra that share corners with three equivalent V(3)O6 octahedra, corners with three equivalent V(6)O6 octahedra,  an edgeedge with one Li(5)O6 octahedra,  an edgeedge with one Li(6)O6 octahedra,  an edgeedge with one V(2)O6 octahedra,  an edgeedge with one V(5)O6 octahedra,  an edgeedge with one Mn(1)O6 octahedra,  an edgeedge with one Mn(2)O6 octahedra, edges with two equivalent Li(3)O6 octahedra, and edges with two equivalent V(4)O6 octahedra. The corner-sharing octahedral tilt angles range from 5-10°. In the second Li site, Li(2) is bonded to one O(1), one O(14), one O(15), one O(4), one O(6), and one O(7) atom to form LiO6 octahedra that share corners with three equivalent V(3)O6 octahedra, corners with three equivalent V(6)O6 octahedra,  an edgeedge with one Li(5)O6 octahedra,  an edgeedge with one Li(6)O6 octahedra,  an edgeedge with one V(2)O6 octahedra,  an edgeedge with one V(5)O6 octahedra,  an edgeedge with one Mn(1)O6 octahedra,  an edgeedge with one Mn(2)O6 octahedra, edges with two equivalent Li(4)O6 octahedra, and edges with two equivalent V(1)O6 octahedra. The corner-sharing octahedral tilt angles range from 5-11°. In the third Li site, Li(3) is bonded to one O(10), one O(11), one O(16), one O(2), one O(3), and one O(5) atom to form LiO6 octahedra that share corners with three equivalent V(2)O6 octahedra, corners with three equivalent V(5)O6 octahedra,  an edgeedge with one Li(5)O6 octahedra,  an edgeedge with one Li(6)O6 octahedra,  an edgeedge with one V(3)O6 octahedra,  an edgeedge with one V(6)O6 octahedra,  an edgeedge with one Mn(1)O6 octahedra,  an edgeedge with one Mn(2)O6 octahedra, edges with two equivalent Li(1)O6 octahedra, and edges with two equivalent V(4)O6 octahedra. The corner-sharing octahedral tilt angles range from 5-10°. In the fourth Li site, Li(4) is bonded to one O(1), one O(12), one O(15), one O(4), one O(6), and one O(9) atom to form LiO6 octahedra that share corners with three equivalent V(2)O6 octahedra, corners with three equivalent V(5)O6 octahedra,  an edgeedge with one Li(5)O6 octahedra,  an edgeedge with one Li(6)O6 octahedra,  an edgeedge with one V(3)O6 octahedra,  an edgeedge with one V(6)O6 octahedra,  an edgeedge with one Mn(1)O6 octahedra,  an edgeedge with one Mn(2)O6 octahedra, edges with two equivalent Li(2)O6 octahedra, and edges with two equivalent V(1)O6 octahedra. The corner-sharing octahedral tilt angles range from 5-11°. In the fifth Li site, Li(5) is bonded to one O(1), one O(10), one O(12), one O(14), one O(3), and one O(8) atom to form LiO6 octahedra that share corners with three equivalent V(1)O6 octahedra, corners with three equivalent V(4)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, edges with two equivalent V(3)O6 octahedra, edges with two equivalent V(5)O6 octahedra, and edges with two equivalent Mn(2)O6 octahedra. The corner-sharing octahedral tilt angles range from 5-12°. In the sixth Li site, Li(6) is bonded to one O(11), one O(13), one O(2), one O(4), one O(7), and one O(9) atom to form LiO6 octahedra that share corners with three equivalent V(1)O6 octahedra, corners with three equivalent V(4)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, edges with two equivalent V(2)O6 octahedra, edges with two equivalent V(6)O6 octahedra, and edges with two equivalent Mn(1)O6 octahedra. The corner-sharing octahedral tilt angles range from 5-11°. There are six inequivalent V sites. In the first V site, V(1) is bonded to one O(1), one O(12), one O(14), one O(4), one O(7), and one O(9) atom to form VO6 octahedra that share corners with three equivalent Li(5)O6 octahedra, corners with three equivalent Li(6)O6 octahedra,  an edgeedge with one V(2)O6 octahedra,  an edgeedge with one V(3)O6 octahedra,  an edgeedge with one V(5)O6 octahedra,  an edgeedge with one V(6)O6 octahedra,  an edgeedge with one Mn(1)O6 octahedra,  an edgeedge with one Mn(2)O6 octahedra, edges with two equivalent Li(2)O6 octahedra, and edges with two equivalent Li(4)O6 octahedra. The corner-sharing octahedral tilt angles range from 5-12°. In the second V site, V(2) is bonded to one O(11), one O(15), one O(2), one O(4), one O(5), and one O(9) atom to form VO6 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 V(1)O6 octahedra,  an edgeedge with one V(4)O6 octahedra, edges with two equivalent Li(6)O6 octahedra, edges with two equivalent V(6)O6 octahedra, and edges with two equivalent Mn(1)O6 octahedra. The corner-sharing octahedral tilt angles range from 6-10°. In the third V site, V(3) is bonded to one O(1), one O(14), one O(16), one O(3), one O(6), and one O(8) atom to form VO6 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 V(1)O6 octahedra,  an edgeedge with one V(4)O6 octahedra, edges with two equivalent Li(5)O6 octahedra, edges with two equivalent V(5)O6 octahedra, and edges with two equivalent Mn(2)O6 octahedra. The corner-sharing octahedral tilt angles range from 6-10°. In the fourth V site, V(4) is bonded to one O(10), one O(11), one O(13), one O(2), one O(3), and one O(8) atom to form VO6 octahedra that share corners with three equivalent Li(5)O6 octahedra, corners with three equivalent Li(6)O6 octahedra,  an edgeedge with one V(2)O6 octahedra,  an edgeedge with one V(3)O6 octahedra,  an edgeedge with one V(5)O6 octahedra,  an edgeedge with one V(6)O6 octahedra,  an edgeedge with one Mn(1)O6 octahedra,  an edgeedge with one Mn(2)O6 octahedra, edges with two equivalent Li(1)O6 octahedra, and edges with two equivalent Li(3)O6 octahedra. The corner-sharing octahedral tilt angles range from 5-10°. In the fifth V site, V(5) is bonded to one O(1), one O(10), one O(12), one O(16), one O(3), and one O(6) atom to form VO6 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 V(1)O6 octahedra,  an edgeedge with one V(4)O6 octahedra, edges with two equivalent Li(5)O6 octahedra, edges with two equivalent V(3)O6 octahedra, and edges with two equivalent Mn(2)O6 octahedra. The corner-sharing octahedral tilt angles range from 5-11°. In the sixth V site, V(6) is bonded to one O(13), one O(15), one O(2), one O(4), one O(5), and one O(7) atom to form VO6 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 V(1)O6 octahedra,  an edgeedge with one V(4)O6 octahedra, edges with two equivalent Li(6)O6 octahedra, edges with two equivalent V(2)O6 octahedra, and edges with two equivalent Mn(1)O6 octahedra. The corner-sharing octahedral tilt angles range from 5-11°. There are two inequivalent Mn sites. In the first Mn site, Mn(1) 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 MnO6 octahedra that share  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 V(1)O6 octahedra,  an edgeedge with one V(4)O6 octahedra, edges with two equivalent Li(6)O6 octahedra, edges with two equivalent V(2)O6 octahedra, and edges with two equivalent V(6)O6 octahedra. In the second Mn site, Mn(2) 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 MnO6 octahedra that share  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 V(1)O6 octahedra,  an edgeedge with one V(4)O6 octahedra, edges with two equivalent Li(5)O6 octahedra, edges with two equivalent V(3)O6 octahedra, and edges with two equivalent V(5)O6 octahedra. There are sixteen inequivalent O sites. In the first O site, O(1) is bonded to one Li(2), one Li(4), one Li(5), one V(1), one V(3), and one V(5) atom to form OLi3V3 octahedra that share corners with three equivalent O(3)Li3V3 octahedra, corners with three equivalent O(4)Li3V3 octahedra,  an edgeedge with one O(10)Li2MnV2 square pyramid,  an edgeedge with one O(15)Li2MnV2 square pyramid,  an edgeedge with one O(16)Li2MnV2 square pyramid,  an edgeedge with one O(7)Li2MnV2 square pyramid,  an edgeedge with one O(8)Li2MnV2 square pyramid,  an edgeedge with one O(9)Li2MnV2 square pyramid, edges with two equivalent O(12)Li2MnV2 square pyramids, edges with two equivalent O(14)Li2MnV2 square pyramids, and edges with two equivalent O(6)Li2MnV2 square pyramids. The corner-sharing octahedral tilt angles are 1°. In the second O site, O(2) is bonded to one Li(1), one Li(3), one Li(6), one V(2), one V(4), and one V(6) atom to form OLi3V3 octahedra that share corners with three equivalent O(3)Li3V3 octahedra, corners with three equivalent O(4)Li3V3 octahedra,  an edgeedge with one O(10)Li2MnV2 square pyramid,  an edgeedge with one O(15)Li2MnV2 square pyramid,  an edgeedge with one O(16)Li2MnV2 square pyramid,  an edgeedge with one O(7)Li2MnV2 square pyramid,  an edgeedge with one O(8)Li2MnV2 square pyramid,  an edgeedge with one O(9)Li2MnV2 square pyramid, edges with two equivalent O(11)Li2MnV2 square pyramids, edges with two equivalent O(13)Li2MnV2 square pyramids, and edges with two equivalent O(5)Li2MnV2 square pyramids. The corner-sharing octahedral tilt angles range from 0-1°. In the third O site, O(3) is bonded to one Li(1), one Li(3), one Li(5), one V(3), one V(4), and one V(5) atom to form OLi3V3 octahedra that share corners with three equivalent O(1)Li3V3 octahedra, corners with three equivalent O(2)Li3V3 octahedra,  an edgeedge with one O(11)Li2MnV2 square pyramid,  an edgeedge with one O(12)Li2MnV2 square pyramid,  an edgeedge with one O(13)Li2MnV2 square pyramid,  an edgeedge with one O(14)Li2MnV2 square pyramid,  an edgeedge with one O(5)Li2MnV2 square pyramid,  an edgeedge with one O(6)Li2MnV2 square pyramid, edges with two equivalent O(10)Li2MnV2 square pyramids, edges with two equivalent O(16)Li2MnV2 square pyramids, and edges with two equivalent O(8)Li2MnV2 square pyramids. The corner-sharing octahedral tilt angles range from 0-1°. In the fourth O site, O(4) is bonded to one Li(2), one Li(4), one Li(6), one V(1), one V(2), and one V(6) atom to form OLi3V3 octahedra that share corners with three equivalent O(1)Li3V3 octahedra, corners with three equivalent O(2)Li3V3 octahedra,  an edgeedge with one O(11)Li2MnV2 square pyramid,  an edgeedge with one O(12)Li2MnV2 square pyramid,  an edgeedge with one O(13)Li2MnV2 square pyramid,  an edgeedge with one O(14)Li2MnV2 square pyramid,  an edgeedge with one O(5)Li2MnV2 square pyramid,  an edgeedge with one O(6)Li2MnV2 square pyramid, edges with two equivalent O(15)Li2MnV2 square pyramids, edges with two equivalent O(7)Li2MnV2 square pyramids, and edges with two equivalent O(9)Li2MnV2 square pyramids. The corner-sharing octahedral tilt angles range from 0-1°. In the fifth O site, O(5) is bonded to one Li(1), one Li(3), one V(2), one V(6), and one Mn(1) atom to form OLi2MnV2 square pyramids that share  a cornercorner with one O(10)Li2MnV2 square pyramid,  a cornercorner with one O(11)Li2MnV2 square pyramid,  a cornercorner with one O(13)Li2MnV2 square pyramid,  a cornercorner with one O(8)Li2MnV2 square pyramid, corners with two equivalent O(16)Li2MnV2 square pyramids, corners with three equivalent O(15)Li2MnV2 square pyramids,  an edgeedge with one O(3)Li3V3 octahedra,  an edgeedge with one O(4)Li3V3 octahedra, edges with two equivalent O(2)Li3V3 octahedra,  an edgeedge with one O(11)Li2MnV2 square pyramid,  an edgeedge with one O(13)Li2MnV2 square pyramid,  an edgeedge with one O(7)Li2MnV2 square pyramid, and  an edgeedge with one O(9)Li2MnV2 square pyramid. In the sixth O site, O(6) is bonded to one Li(2), one Li(4), one V(3), one V(5), and one Mn(2) atom to form OLi2MnV2 square pyramids that share  a cornercorner with one O(12)Li2MnV2 square pyramid,  a cornercorner with one O(14)Li2MnV2 square pyramid,  a cornercorner with one O(7)Li2MnV2 square pyramid,  a cornercorner with one O(9)Li2MnV2 square pyramid, corners with two equivalent O(15)Li2MnV2 square pyramids, corners with three equivalent O(16)Li2MnV2 square pyramids,  an edgeedge with one O(3)Li3V3 octahedra,  an edgeedge with one O(4)Li3V3 octahedra, edges with two equivalent O(1)Li3V3 octahedra,  an edgeedge with one O(10)Li2MnV2 square pyramid,  an edgeedge with one O(12)Li2MnV2 square pyramid,  an edgeedge with one O(14)Li2MnV2 square pyramid, and  an edgeedge with one O(8)Li2MnV2 square pyramid. In the seventh O site, O(7) is bonded to one Li(2), one Li(6), one V(1), one V(6), and one Mn(1) atom to form OLi2MnV2 square pyramids that share  a cornercorner with one O(12)Li2MnV2 square pyramid,  a cornercorner with one O(15)Li2MnV2 square pyramid,  a cornercorner with one O(6)Li2MnV2 square pyramid,  a cornercorner with one O(9)Li2MnV2 square pyramid, corners with two equivalent O(14)Li2MnV2 square pyramids, corners with three equivalent O(13)Li2MnV2 square pyramids,  an edgeedge with one O(1)Li3V3 octahedra,  an edgeedge with one O(2)Li3V3 octahedra, edges with two equivalent O(4)Li3V3 octahedra,  an edgeedge with one O(11)Li2MnV2 square pyramid,  an edgeedge with one O(15)Li2MnV2 square pyramid,  an edgeedge with one O(5)Li2MnV2 square pyramid, and  an edgeedge with one O(9)Li2MnV2 square pyramid. In the eighth O site, O(8) is bonded to one Li(1), one Li(5), one V(3), one V(4), and one Mn(2) atom to form OLi2MnV2 square pyramids that share  a cornercorner with one O(10)Li2MnV2 square pyramid,  a cornercorner with one O(11)Li2MnV2 square pyramid,  a cornercorner with one O(16)Li2MnV2 square pyramid,  a cornercorner with one O(5)Li2MnV2 square pyramid, corners with two equivalent O(13)Li2MnV2 square pyramids, corners with three equivalent O(14)Li2MnV2 square pyramids,  an edgeedge with one O(1)Li3V3 octahedra,  an edgeedge with one O(2)Li3V3 octahedra, edges with two equivalent O(3)Li3V3 octahedra,  an edgeedge with one O(10)Li2MnV2 square pyramid,  an edgeedge with one O(12)Li2MnV2 square pyramid,  an edgeedge with one O(16)Li2MnV2 square pyramid, and  an edgeedge with one O(6)Li2MnV2 square pyramid. In the ninth O site, O(9) is bonded to one Li(4), one Li(6), one V(1), one V(2), and one Mn(1) atom to form OLi2MnV2 square pyramids that share  a cornercorner with one O(14)Li2MnV2 square pyramid,  a cornercorner with one O(15)Li2MnV2 square pyramid,  a cornercorner with one O(6)Li2MnV2 square pyramid,  a cornercorner with one O(7)Li2MnV2 square pyramid, corners with two equivalent O(12)Li2MnV2 square pyramids, corners with three equivalent O(11)Li2MnV2 square pyramids,  an edgeedge with one O(1)Li3V3 octahedra,  an edgeedge with one O(2)Li3V3 octahedra, edges with two equivalent O(4)Li3V3 octahedra,  an edgeedge with one O(13)Li2MnV2 square pyramid,  an edgeedge with one O(15)Li2MnV2 square pyramid,  an edgeedge with one O(5)Li2MnV2 square pyramid, and  an edgeedge with one O(7)Li2MnV2 square pyramid. In the tenth O site, O(10) is bonded to one Li(3), one Li(5), one V(4), one V(5), and one Mn(2) atom to form OLi2MnV2 square pyramids that share  a cornercorner with one O(13)Li2MnV2 square pyramid,  a cornercorner with one O(16)Li2MnV2 square pyramid,  a cornercorner with one O(5)Li2MnV2 square pyramid,  a cornercorner with one O(8)Li2MnV2 square pyramid, corners with two equivalent O(11)Li2MnV2 square pyramids, corners with three equivalent O(12)Li2MnV2 square pyramids,  an edgeedge with one O(1)Li3V3 octahedra,  an edgeedge with one O(2)Li3V3 octahedra, edges with two equivalent O(3)Li3V3 octahedra,  an edgeedge with one O(14)Li2MnV2 square pyramid,  an edgeedge with one O(16)Li2MnV2 square pyramid,  an edgeedge with one O(6)Li2MnV2 square pyramid, and  an edgeedge with one O(8)Li2MnV2 square pyramid. In the eleventh O site, O(11) is bonded to one Li(3), one Li(6), one V(2), one V(4), and one Mn(1) atom to form OLi2MnV2 square pyramids that share  a cornercorner with one O(13)Li2MnV2 square pyramid,  a cornercorner with one O(16)Li2MnV2 square pyramid,  a cornercorner with one O(5)Li2MnV2 square pyramid,  a cornercorner with one O(8)Li2MnV2 square pyramid, corners with two equivalent O(10)Li2MnV2 square pyramids, corners with three equivalent O(9)Li2MnV2 square pyramids,  an edgeedge with one O(3)Li3V3 octahedra,  an edgeedge with one O(4)Li3V3 octahedra, edges with two equivalent O(2)Li3V3 octahedra,  an edgeedge with one O(13)Li2MnV2 square pyramid,  an edgeedge with one O(15)Li2MnV2 square pyramid,  an edgeedge with one O(5)Li2MnV2 square pyramid, and  an edgeedge with one O(7)Li2MnV2 square pyramid. In the twelfth O site, O(12) is bonded to one Li(4), one Li(5), one V(1), one V(5), and one Mn(2) atom to form OLi2MnV2 square pyramids that share  a cornercorner with one O(14)Li2MnV2 square pyramid,  a cornercorner with one O(15)Li2MnV2 square pyramid,  a cornercorner with one O(6)Li2MnV2 square pyramid,  a cornercorner with one O(7)Li2MnV2 square pyramid, corners with two equivalent O(9)Li2MnV2 square pyramids, corners with three equivalent O(10)Li2MnV2 square pyramids,  an edgeedge with one O(3)Li3V3 octahedra,  an edgeedge with one O(4)Li3V3 octahedra, edges with two equivalent O(1)Li3V3 octahedra,  an edgeedge with one O(14)Li2MnV2 square pyramid,  an edgeedge with one O(16)Li2MnV2 square pyramid,  an edgeedge with one O(6)Li2MnV2 square pyramid, and  an edgeedge with one O(8)Li2MnV2 square pyramid. In the thirteenth O site, O(13) is bonded to one Li(1), one Li(6), one V(4), one V(6), and one Mn(1) atom to form OLi2MnV2 square pyramids that share  a cornercorner with one O(10)Li2MnV2 square pyramid,  a cornercorner with one O(11)Li2MnV2 square pyramid,  a cornercorner with one O(16)Li2MnV2 square pyramid,  a cornercorner with one O(5)Li2MnV2 square pyramid, corners with two equivalent O(8)Li2MnV2 square pyramids, corners with three equivalent O(7)Li2MnV2 square pyramids,  an edgeedge with one O(3)Li3V3 octahedra,  an edgeedge with one O(4)Li3V3 octahedra, edges with two equivalent O(2)Li3V3 octahedra,  an edgeedge with one O(11)Li2MnV2 square pyramid,  an edgeedge with one O(15)Li2MnV2 square pyramid,  an edgeedge with one O(5)Li2MnV2 square pyramid, and  an edgeedge with one O(9)Li2MnV2 square pyramid. In the fourteenth O site, O(14) is bonded to one Li(2), one Li(5), one V(1), one V(3), and one Mn(2) atom to form OLi2MnV2 square pyramids that share  a cornercorner with one O(12)Li2MnV2 square pyramid,  a cornercorner with one O(15)Li2MnV2 square pyramid,  a cornercorner with one O(6)Li2MnV2 square pyramid,  a cornercorner with one O(9)Li2MnV2 square pyramid, corners with two equivalent O(7)Li2MnV2 square pyramids, corners with three equivalent O(8)Li2MnV2 square pyramids,  an edgeedge with one O(3)Li3V3 octahedra,  an edgeedge with one O(4)Li3V3 octahedra, edges with two equivalent O(1)Li3V3 octahedra,  an edgeedge with one O(10)Li2MnV2 square pyramid,  an edgeedge with one O(12)Li2MnV2 square pyramid,  an edgeedge with one O(16)Li2MnV2 square pyramid, and  an edgeedge with one O(6)Li2MnV2 square pyramid. In the fifteenth O site, O(15) is bonded to one Li(2), one Li(4), one V(2), one V(6), and one Mn(1) atom to form OLi2MnV2 square pyramids that share  a cornercorner with one O(12)Li2MnV2 square pyramid,  a cornercorner with one O(14)Li2MnV2 square pyramid,  a cornercorner with one O(7)Li2MnV2 square pyramid,  a cornercorner with one O(9)Li2MnV2 square pyramid, corners with two equivalent O(6)Li2MnV2 square pyramids, corners with three equivalent O(5)Li2MnV2 square pyramids,  an edgeedge with one O(1)Li3V3 octahedra,  an edgeedge with one O(2)Li3V3 octahedra, edges with two equivalent O(4)Li3V3 octahedra,  an edgeedge with one O(11)Li2MnV2 square pyramid,  an edgeedge with one O(13)Li2MnV2 square pyramid,  an edgeedge with one O(7)Li2MnV2 square pyramid, and  an edgeedge with one O(9)Li2MnV2 square pyramid. In the sixteenth O site, O(16) is bonded to one Li(1), one Li(3), one V(3), one V(5), and one Mn(2) atom to form OLi2MnV2 square pyramids that share  a cornercorner with one O(10)Li2MnV2 square pyramid,  a cornercorner with one O(11)Li2MnV2 square pyramid,  a cornercorner with one O(13)Li2MnV2 square pyramid,  a cornercorner with one O(8)Li2MnV2 square pyramid, corners with two equivalent O(5)Li2MnV2 square pyramids, corners with three equivalent O(6)Li2MnV2 square pyramids,  an edgeedge with one O(1)Li3V3 octahedra,  an edgeedge with one O(2)Li3V3 octahedra, edges with two equivalent O(3)Li3V3 octahedra,  an edgeedge with one O(10)Li2MnV2 square pyramid,  an edgeedge with one O(12)Li2MnV2 square pyramid,  an edgeedge with one O(14)Li2MnV2 square pyramid, and  an edgeedge with one O(8)Li2MnV2 square pyramid.
Li3V3MnO8 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(13), one O(16), one O(2), one O(3), one O(5), and one O(8) atom to form LiO6 octahedra that share corners with three equivalent V(3)O6 octahedra, corners with three equivalent V(6)O6 octahedra,  an edgeedge with one Li(5)O6 octahedra,  an edgeedge with one Li(6)O6 octahedra,  an edgeedge with one V(2)O6 octahedra,  an edgeedge with one V(5)O6 octahedra,  an edgeedge with one Mn(1)O6 octahedra,  an edgeedge with one Mn(2)O6 octahedra, edges with two equivalent Li(3)O6 octahedra, and edges with two equivalent V(4)O6 octahedra. The corner-sharing octahedral tilt angles range from 5-10°. The Li(1)-O(13) bond length is 2.17 Å. The Li(1)-O(16) bond length is 2.17 Å. The Li(1)-O(2) bond length is 2.18 Å. The Li(1)-O(3) bond length is 2.18 Å. The Li(1)-O(5) bond length is 2.18 Å. The Li(1)-O(8) bond length is 2.14 Å. In the second Li site, Li(2) is bonded to one O(1), one O(14), one O(15), one O(4), one O(6), and one O(7) atom to form LiO6 octahedra that share corners with three equivalent V(3)O6 octahedra, corners with three equivalent V(6)O6 octahedra,  an edgeedge with one Li(5)O6 octahedra,  an edgeedge with one Li(6)O6 octahedra,  an edgeedge with one V(2)O6 octahedra,  an edgeedge with one V(5)O6 octahedra,  an edgeedge with one Mn(1)O6 octahedra,  an edgeedge with one Mn(2)O6 octahedra, edges with two equivalent Li(4)O6 octahedra, and edges with two equivalent V(1)O6 octahedra. The corner-sharing octahedral tilt angles range from 5-11°. The Li(2)-O(1) bond length is 2.18 Å. The Li(2)-O(14) bond length is 2.17 Å. The Li(2)-O(15) bond length is 2.16 Å. The Li(2)-O(4) bond length is 2.18 Å. The Li(2)-O(6) bond length is 2.18 Å. The Li(2)-O(7) bond length is 2.22 Å. In the third Li site, Li(3) is bonded to one O(10), one O(11), one O(16), one O(2), one O(3), and one O(5) atom to form LiO6 octahedra that share corners with three equivalent V(2)O6 octahedra, corners with three equivalent V(5)O6 octahedra,  an edgeedge with one Li(5)O6 octahedra,  an edgeedge with one Li(6)O6 octahedra,  an edgeedge with one V(3)O6 octahedra,  an edgeedge with one V(6)O6 octahedra,  an edgeedge with one Mn(1)O6 octahedra,  an edgeedge with one Mn(2)O6 octahedra, edges with two equivalent Li(1)O6 octahedra, and edges with two equivalent V(4)O6 octahedra. The corner-sharing octahedral tilt angles range from 5-10°. The Li(3)-O(10) bond length is 2.20 Å. The Li(3)-O(11) bond length is 2.16 Å. The Li(3)-O(16) bond length is 2.15 Å. The Li(3)-O(2) bond length is 2.18 Å. The Li(3)-O(3) bond length is 2.18 Å. The Li(3)-O(5) bond length is 2.16 Å. In the fourth Li site, Li(4) is bonded to one O(1), one O(12), one O(15), one O(4), one O(6), and one O(9) atom to form LiO6 octahedra that share corners with three equivalent V(2)O6 octahedra, corners with three equivalent V(5)O6 octahedra,  an edgeedge with one Li(5)O6 octahedra,  an edgeedge with one Li(6)O6 octahedra,  an edgeedge with one V(3)O6 octahedra,  an edgeedge with one V(6)O6 octahedra,  an edgeedge with one Mn(1)O6 octahedra,  an edgeedge with one Mn(2)O6 octahedra, edges with two equivalent Li(2)O6 octahedra, and edges with two equivalent V(1)O6 octahedra. The corner-sharing octahedral tilt angles range from 5-11°. The Li(4)-O(1) bond length is 2.17 Å. The Li(4)-O(12) bond length is 2.25 Å. The Li(4)-O(15) bond length is 2.17 Å. The Li(4)-O(4) bond length is 2.18 Å. The Li(4)-O(6) bond length is 2.13 Å. The Li(4)-O(9) bond length is 2.18 Å. In the fifth Li site, Li(5) is bonded to one O(1), one O(10), one O(12), one O(14), one O(3), and one O(8) atom to form LiO6 octahedra that share corners with three equivalent V(1)O6 octahedra, corners with three equivalent V(4)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, edges with two equivalent V(3)O6 octahedra, edges with two equivalent V(5)O6 octahedra, and edges with two equivalent Mn(2)O6 octahedra. The corner-sharing octahedral tilt angles range from 5-12°. The Li(5)-O(1) bond length is 2.19 Å. The Li(5)-O(10) bond length is 2.15 Å. The Li(5)-O(12) bond length is 2.14 Å. The Li(5)-O(14) bond length is 2.18 Å. The Li(5)-O(3) bond length is 2.19 Å. The Li(5)-O(8) bond length is 2.22 Å. In the sixth Li site, Li(6) is bonded to one O(11), one O(13), one O(2), one O(4), one O(7), and one O(9) atom to form LiO6 octahedra that share corners with three equivalent V(1)O6 octahedra, corners with three equivalent V(4)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, edges with two equivalent V(2)O6 octahedra, edges with two equivalent V(6)O6 octahedra, and edges with two equivalent Mn(1)O6 octahedra. The corner-sharing octahedral tilt angles range from 5-11°. The Li(6)-O(11) bond length is 2.18 Å. The Li(6)-O(13) bond length is 2.19 Å. The Li(6)-O(2) bond length is 2.19 Å. The Li(6)-O(4) bond length is 2.19 Å. The Li(6)-O(7) bond length is 2.14 Å. The Li(6)-O(9) bond length is 2.17 Å. There are six inequivalent V sites. In the first V site, V(1) is bonded to one O(1), one O(12), one O(14), one O(4), one O(7), and one O(9) atom to form VO6 octahedra that share corners with three equivalent Li(5)O6 octahedra, corners with three equivalent Li(6)O6 octahedra,  an edgeedge with one V(2)O6 octahedra,  an edgeedge with one V(3)O6 octahedra,  an edgeedge with one V(5)O6 octahedra,  an edgeedge with one V(6)O6 octahedra,  an edgeedge with one Mn(1)O6 octahedra,  an edgeedge with one Mn(2)O6 octahedra, edges with two equivalent Li(2)O6 octahedra, and edges with two equivalent Li(4)O6 octahedra. The corner-sharing octahedral tilt angles range from 5-12°. The V(1)-O(1) bond length is 2.05 Å. The V(1)-O(12) bond length is 2.07 Å. The V(1)-O(14) bond length is 2.06 Å. The V(1)-O(4) bond length is 2.05 Å. The V(1)-O(7) bond length is 2.06 Å. The V(1)-O(9) bond length is 2.06 Å. In the second V site, V(2) is bonded to one O(11), one O(15), one O(2), one O(4), one O(5), and one O(9) atom to form VO6 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 V(1)O6 octahedra,  an edgeedge with one V(4)O6 octahedra, edges with two equivalent Li(6)O6 octahedra, edges with two equivalent V(6)O6 octahedra, and edges with two equivalent Mn(1)O6 octahedra. The corner-sharing octahedral tilt angles range from 6-10°. The V(2)-O(11) bond length is 2.06 Å. The V(2)-O(15) bond length is 2.07 Å. The V(2)-O(2) bond length is 2.06 Å. The V(2)-O(4) bond length is 2.06 Å. The V(2)-O(5) bond length is 2.06 Å. The V(2)-O(9) bond length is 2.07 Å. In the third V site, V(3) is bonded to one O(1), one O(14), one O(16), one O(3), one O(6), and one O(8) atom to form VO6 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 V(1)O6 octahedra,  an edgeedge with one V(4)O6 octahedra, edges with two equivalent Li(5)O6 octahedra, edges with two equivalent V(5)O6 octahedra, and edges with two equivalent Mn(2)O6 octahedra. The corner-sharing octahedral tilt angles range from 6-10°. The V(3)-O(1) bond length is 2.06 Å. The V(3)-O(14) bond length is 2.08 Å. The V(3)-O(16) bond length is 2.05 Å. The V(3)-O(3) bond length is 2.06 Å. The V(3)-O(6) bond length is 2.05 Å. The V(3)-O(8) bond length is 2.08 Å. In the fourth V site, V(4) is bonded to one O(10), one O(11), one O(13), one O(2), one O(3), and one O(8) atom to form VO6 octahedra that share corners with three equivalent Li(5)O6 octahedra, corners with three equivalent Li(6)O6 octahedra,  an edgeedge with one V(2)O6 octahedra,  an edgeedge with one V(3)O6 octahedra,  an edgeedge with one V(5)O6 octahedra,  an edgeedge with one V(6)O6 octahedra,  an edgeedge with one Mn(1)O6 octahedra,  an edgeedge with one Mn(2)O6 octahedra, edges with two equivalent Li(1)O6 octahedra, and edges with two equivalent Li(3)O6 octahedra. The corner-sharing octahedral tilt angles range from 5-10°. The V(4)-O(10) bond length is 2.10 Å. The V(4)-O(11) bond length is 2.08 Å. The V(4)-O(13) bond length is 2.06 Å. The V(4)-O(2) bond length is 2.03 Å. The V(4)-O(3) bond length is 2.03 Å. The V(4)-O(8) bond length is 2.04 Å. In the fifth V site, V(5) is bonded to one O(1), one O(10), one O(12), one O(16), one O(3), and one O(6) atom to form VO6 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 V(1)O6 octahedra,  an edgeedge with one V(4)O6 octahedra, edges with two equivalent Li(5)O6 octahedra, edges with two equivalent V(3)O6 octahedra, and edges with two equivalent Mn(2)O6 octahedra. The corner-sharing octahedral tilt angles range from 5-11°. The V(5)-O(1) bond length is 2.04 Å. The V(5)-O(10) bond length is 2.02 Å. The V(5)-O(12) bond length is 2.04 Å. The V(5)-O(16) bond length is 2.10 Å. The V(5)-O(3) bond length is 2.03 Å. The V(5)-O(6) bond length is 2.10 Å. In the sixth V site, V(6) is bonded to one O(13), one O(15), one O(2), one O(4), one O(5), and one O(7) atom to form VO6 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 V(1)O6 octahedra,  an edgeedge with one V(4)O6 octahedra, edges with two equivalent Li(6)O6 octahedra, edges with two equivalent V(2)O6 octahedra, and edges with two equivalent Mn(1)O6 octahedra. The corner-sharing octahedral tilt angles range from 5-11°. The V(6)-O(13) bond length is 2.06 Å. The V(6)-O(15) bond length is 2.07 Å. The V(6)-O(2) bond length is 2.03 Å. The V(6)-O(4) bond length is 2.04 Å. The V(6)-O(5) bond length is 2.08 Å. The V(6)-O(7) bond length is 2.05 Å. There are two inequivalent Mn sites. In the first Mn site, Mn(1) 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 MnO6 octahedra that share  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 V(1)O6 octahedra,  an edgeedge with one V(4)O6 octahedra, edges with two equivalent Li(6)O6 octahedra, edges with two equivalent V(2)O6 octahedra, and edges with two equivalent V(6)O6 octahedra. The Mn(1)-O(11) bond length is 1.94 Å. The Mn(1)-O(13) bond length is 1.94 Å. The Mn(1)-O(15) bond length is 1.94 Å. The Mn(1)-O(5) bond length is 1.94 Å. The Mn(1)-O(7) bond length is 1.94 Å. The Mn(1)-O(9) bond length is 1.94 Å. In the second Mn site, Mn(2) 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 MnO6 octahedra that share  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 V(1)O6 octahedra,  an edgeedge with one V(4)O6 octahedra, edges with two equivalent Li(5)O6 octahedra, edges with two equivalent V(3)O6 octahedra, and edges with two equivalent V(5)O6 octahedra. The Mn(2)-O(10) bond length is 1.94 Å. The Mn(2)-O(12) bond length is 1.94 Å. The Mn(2)-O(14) bond length is 1.94 Å. The Mn(2)-O(16) bond length is 1.94 Å. The Mn(2)-O(6) bond length is 1.93 Å. The Mn(2)-O(8) bond length is 1.95 Å. There are sixteen inequivalent O sites. In the first O site, O(1) is bonded to one Li(2), one Li(4), one Li(5), one V(1), one V(3), and one V(5) atom to form OLi3V3 octahedra that share corners with three equivalent O(3)Li3V3 octahedra, corners with three equivalent O(4)Li3V3 octahedra,  an edgeedge with one O(10)Li2MnV2 square pyramid,  an edgeedge with one O(15)Li2MnV2 square pyramid,  an edgeedge with one O(16)Li2MnV2 square pyramid,  an edgeedge with one O(7)Li2MnV2 square pyramid,  an edgeedge with one O(8)Li2MnV2 square pyramid,  an edgeedge with one O(9)Li2MnV2 square pyramid, edges with two equivalent O(12)Li2MnV2 square pyramids, edges with two equivalent O(14)Li2MnV2 square pyramids, and edges with two equivalent O(6)Li2MnV2 square pyramids. The corner-sharing octahedral tilt angles are 1°. In the second O site, O(2) is bonded to one Li(1), one Li(3), one Li(6), one V(2), one V(4), and one V(6) atom to form OLi3V3 octahedra that share corners with three equivalent O(3)Li3V3 octahedra, corners with three equivalent O(4)Li3V3 octahedra,  an edgeedge with one O(10)Li2MnV2 square pyramid,  an edgeedge with one O(15)Li2MnV2 square pyramid,  an edgeedge with one O(16)Li2MnV2 square pyramid,  an edgeedge with one O(7)Li2MnV2 square pyramid,  an edgeedge with one O(8)Li2MnV2 square pyramid,  an edgeedge with one O(9)Li2MnV2 square pyramid, edges with two equivalent O(11)Li2MnV2 square pyramids, edges with two equivalent O(13)Li2MnV2 square pyramids, and edges with two equivalent O(5)Li2MnV2 square pyramids. The corner-sharing octahedral tilt angles range from 0-1°. In the third O site, O(3) is bonded to one Li(1), one Li(3), one Li(5), one V(3), one V(4), and one V(5) atom to form OLi3V3 octahedra that share corners with three equivalent O(1)Li3V3 octahedra, corners with three equivalent O(2)Li3V3 octahedra,  an edgeedge with one O(11)Li2MnV2 square pyramid,  an edgeedge with one O(12)Li2MnV2 square pyramid,  an edgeedge with one O(13)Li2MnV2 square pyramid,  an edgeedge with one O(14)Li2MnV2 square pyramid,  an edgeedge with one O(5)Li2MnV2 square pyramid,  an edgeedge with one O(6)Li2MnV2 square pyramid, edges with two equivalent O(10)Li2MnV2 square pyramids, edges with two equivalent O(16)Li2MnV2 square pyramids, and edges with two equivalent O(8)Li2MnV2 square pyramids. The corner-sharing octahedral tilt angles range from 0-1°. In the fourth O site, O(4) is bonded to one Li(2), one Li(4), one Li(6), one V(1), one V(2), and one V(6) atom to form OLi3V3 octahedra that share corners with three equivalent O(1)Li3V3 octahedra, corners with three equivalent O(2)Li3V3 octahedra,  an edgeedge with one O(11)Li2MnV2 square pyramid,  an edgeedge with one O(12)Li2MnV2 square pyramid,  an edgeedge with one O(13)Li2MnV2 square pyramid,  an edgeedge with one O(14)Li2MnV2 square pyramid,  an edgeedge with one O(5)Li2MnV2 square pyramid,  an edgeedge with one O(6)Li2MnV2 square pyramid, edges with two equivalent O(15)Li2MnV2 square pyramids, edges with two equivalent O(7)Li2MnV2 square pyramids, and edges with two equivalent O(9)Li2MnV2 square pyramids. The corner-sharing octahedral tilt angles range from 0-1°. In the fifth O site, O(5) is bonded to one Li(1), one Li(3), one V(2), one V(6), and one Mn(1) atom to form OLi2MnV2 square pyramids that share  a cornercorner with one O(10)Li2MnV2 square pyramid,  a cornercorner with one O(11)Li2MnV2 square pyramid,  a cornercorner with one O(13)Li2MnV2 square pyramid,  a cornercorner with one O(8)Li2MnV2 square pyramid, corners with two equivalent O(16)Li2MnV2 square pyramids, corners with three equivalent O(15)Li2MnV2 square pyramids,  an edgeedge with one O(3)Li3V3 octahedra,  an edgeedge with one O(4)Li3V3 octahedra, edges with two equivalent O(2)Li3V3 octahedra,  an edgeedge with one O(11)Li2MnV2 square pyramid,  an edgeedge with one O(13)Li2MnV2 square pyramid,  an edgeedge with one O(7)Li2MnV2 square pyramid, and  an edgeedge with one O(9)Li2MnV2 square pyramid. In the sixth O site, O(6) is bonded to one Li(2), one Li(4), one V(3), one V(5), and one Mn(2) atom to form OLi2MnV2 square pyramids that share  a cornercorner with one O(12)Li2MnV2 square pyramid,  a cornercorner with one O(14)Li2MnV2 square pyramid,  a cornercorner with one O(7)Li2MnV2 square pyramid,  a cornercorner with one O(9)Li2MnV2 square pyramid, corners with two equivalent O(15)Li2MnV2 square pyramids, corners with three equivalent O(16)Li2MnV2 square pyramids,  an edgeedge with one O(3)Li3V3 octahedra,  an edgeedge with one O(4)Li3V3 octahedra, edges with two equivalent O(1)Li3V3 octahedra,  an edgeedge with one O(10)Li2MnV2 square pyramid,  an edgeedge with one O(12)Li2MnV2 square pyramid,  an edgeedge with one O(14)Li2MnV2 square pyramid, and  an edgeedge with one O(8)Li2MnV2 square pyramid. In the seventh O site, O(7) is bonded to one Li(2), one Li(6), one V(1), one V(6), and one Mn(1) atom to form OLi2MnV2 square pyramids that share  a cornercorner with one O(12)Li2MnV2 square pyramid,  a cornercorner with one O(15)Li2MnV2 square pyramid,  a cornercorner with one O(6)Li2MnV2 square pyramid,  a cornercorner with one O(9)Li2MnV2 square pyramid, corners with two equivalent O(14)Li2MnV2 square pyramids, corners with three equivalent O(13)Li2MnV2 square pyramids,  an edgeedge with one O(1)Li3V3 octahedra,  an edgeedge with one O(2)Li3V3 octahedra, edges with two equivalent O(4)Li3V3 octahedra,  an edgeedge with one O(11)Li2MnV2 square pyramid,  an edgeedge with one O(15)Li2MnV2 square pyramid,  an edgeedge with one O(5)Li2MnV2 square pyramid, and  an edgeedge with one O(9)Li2MnV2 square pyramid. In the eighth O site, O(8) is bonded to one Li(1), one Li(5), one V(3), one V(4), and one Mn(2) atom to form OLi2MnV2 square pyramids that share  a cornercorner with one O(10)Li2MnV2 square pyramid,  a cornercorner with one O(11)Li2MnV2 square pyramid,  a cornercorner with one O(16)Li2MnV2 square pyramid,  a cornercorner with one O(5)Li2MnV2 square pyramid, corners with two equivalent O(13)Li2MnV2 square pyramids, corners with three equivalent O(14)Li2MnV2 square pyramids,  an edgeedge with one O(1)Li3V3 octahedra,  an edgeedge with one O(2)Li3V3 octahedra, edges with two equivalent O(3)Li3V3 octahedra,  an edgeedge with one O(10)Li2MnV2 square pyramid,  an edgeedge with one O(12)Li2MnV2 square pyramid,  an edgeedge with one O(16)Li2MnV2 square pyramid, and  an edgeedge with one O(6)Li2MnV2 square pyramid. In the ninth O site, O(9) is bonded to one Li(4), one Li(6), one V(1), one V(2), and one Mn(1) atom to form OLi2MnV2 square pyramids that share  a cornercorner with one O(14)Li2MnV2 square pyramid,  a cornercorner with one O(15)Li2MnV2 square pyramid,  a cornercorner with one O(6)Li2MnV2 square pyramid,  a cornercorner with one O(7)Li2MnV2 square pyramid, corners with two equivalent O(12)Li2MnV2 square pyramids, corners with three equivalent O(11)Li2MnV2 square pyramids,  an edgeedge with one O(1)Li3V3 octahedra,  an edgeedge with one O(2)Li3V3 octahedra, edges with two equivalent O(4)Li3V3 octahedra,  an edgeedge with one O(13)Li2MnV2 square pyramid,  an edgeedge with one O(15)Li2MnV2 square pyramid,  an edgeedge with one O(5)Li2MnV2 square pyramid, and  an edgeedge with one O(7)Li2MnV2 square pyramid. In the tenth O site, O(10) is bonded to one Li(3), one Li(5), one V(4), one V(5), and one Mn(2) atom to form OLi2MnV2 square pyramids that share  a cornercorner with one O(13)Li2MnV2 square pyramid,  a cornercorner with one O(16)Li2MnV2 square pyramid,  a cornercorner with one O(5)Li2MnV2 square pyramid,  a cornercorner with one O(8)Li2MnV2 square pyramid, corners with two equivalent O(11)Li2MnV2 square pyramids, corners with three equivalent O(12)Li2MnV2 square pyramids,  an edgeedge with one O(1)Li3V3 octahedra,  an edgeedge with one O(2)Li3V3 octahedra, edges with two equivalent O(3)Li3V3 octahedra,  an edgeedge with one O(14)Li2MnV2 square pyramid,  an edgeedge with one O(16)Li2MnV2 square pyramid,  an edgeedge with one O(6)Li2MnV2 square pyramid, and  an edgeedge with one O(8)Li2MnV2 square pyramid. In the eleventh O site, O(11) is bonded to one Li(3), one Li(6), one V(2), one V(4), and one Mn(1) atom to form OLi2MnV2 square pyramids that share  a cornercorner with one O(13)Li2MnV2 square pyramid,  a cornercorner with one O(16)Li2MnV2 square pyramid,  a cornercorner with one O(5)Li2MnV2 square pyramid,  a cornercorner with one O(8)Li2MnV2 square pyramid, corners with two equivalent O(10)Li2MnV2 square pyramids, corners with three equivalent O(9)Li2MnV2 square pyramids,  an edgeedge with one O(3)Li3V3 octahedra,  an edgeedge with one O(4)Li3V3 octahedra, edges with two equivalent O(2)Li3V3 octahedra,  an edgeedge with one O(13)Li2MnV2 square pyramid,  an edgeedge with one O(15)Li2MnV2 square pyramid,  an edgeedge with one O(5)Li2MnV2 square pyramid, and  an edgeedge with one O(7)Li2MnV2 square pyramid. In the twelfth O site, O(12) is bonded to one Li(4), one Li(5), one V(1), one V(5), and one Mn(2) atom to form OLi2MnV2 square pyramids that share  a cornercorner with one O(14)Li2MnV2 square pyramid,  a cornercorner with one O(15)Li2MnV2 square pyramid,  a cornercorner with one O(6)Li2MnV2 square pyramid,  a cornercorner with one O(7)Li2MnV2 square pyramid, corners with two equivalent O(9)Li2MnV2 square pyramids, corners with three equivalent O(10)Li2MnV2 square pyramids,  an edgeedge with one O(3)Li3V3 octahedra,  an edgeedge with one O(4)Li3V3 octahedra, edges with two equivalent O(1)Li3V3 octahedra,  an edgeedge with one O(14)Li2MnV2 square pyramid,  an edgeedge with one O(16)Li2MnV2 square pyramid,  an edgeedge with one O(6)Li2MnV2 square pyramid, and  an edgeedge with one O(8)Li2MnV2 square pyramid. In the thirteenth O site, O(13) is bonded to one Li(1), one Li(6), one V(4), one V(6), and one Mn(1) atom to form OLi2MnV2 square pyramids that share  a cornercorner with one O(10)Li2MnV2 square pyramid,  a cornercorner with one O(11)Li2MnV2 square pyramid,  a cornercorner with one O(16)Li2MnV2 square pyramid,  a cornercorner with one O(5)Li2MnV2 square pyramid, corners with two equivalent O(8)Li2MnV2 square pyramids, corners with three equivalent O(7)Li2MnV2 square pyramids,  an edgeedge with one O(3)Li3V3 octahedra,  an edgeedge with one O(4)Li3V3 octahedra, edges with two equivalent O(2)Li3V3 octahedra,  an edgeedge with one O(11)Li2MnV2 square pyramid,  an edgeedge with one O(15)Li2MnV2 square pyramid,  an edgeedge with one O(5)Li2MnV2 square pyramid, and  an edgeedge with one O(9)Li2MnV2 square pyramid. In the fourteenth O site, O(14) is bonded to one Li(2), one Li(5), one V(1), one V(3), and one Mn(2) atom to form OLi2MnV2 square pyramids that share  a cornercorner with one O(12)Li2MnV2 square pyramid,  a cornercorner with one O(15)Li2MnV2 square pyramid,  a cornercorner with one O(6)Li2MnV2 square pyramid,  a cornercorner with one O(9)Li2MnV2 square pyramid, corners with two equivalent O(7)Li2MnV2 square pyramids, corners with three equivalent O(8)Li2MnV2 square pyramids,  an edgeedge with one O(3)Li3V3 octahedra,  an edgeedge with one O(4)Li3V3 octahedra, edges with two equivalent O(1)Li3V3 octahedra,  an edgeedge with one O(10)Li2MnV2 square pyramid,  an edgeedge with one O(12)Li2MnV2 square pyramid,  an edgeedge with one O(16)Li2MnV2 square pyramid, and  an edgeedge with one O(6)Li2MnV2 square pyramid. In the fifteenth O site, O(15) is bonded to one Li(2), one Li(4), one V(2), one V(6), and one Mn(1) atom to form OLi2MnV2 square pyramids that share  a cornercorner with one O(12)Li2MnV2 square pyramid,  a cornercorner with one O(14)Li2MnV2 square pyramid,  a cornercorner with one O(7)Li2MnV2 square pyramid,  a cornercorner with one O(9)Li2MnV2 square pyramid, corners with two equivalent O(6)Li2MnV2 square pyramids, corners with three equivalent O(5)Li2MnV2 square pyramids,  an edgeedge with one O(1)Li3V3 octahedra,  an edgeedge with one O(2)Li3V3 octahedra, edges with two equivalent O(4)Li3V3 octahedra,  an edgeedge with one O(11)Li2MnV2 square pyramid,  an edgeedge with one O(13)Li2MnV2 square pyramid,  an edgeedge with one O(7)Li2MnV2 square pyramid, and  an edgeedge with one O(9)Li2MnV2 square pyramid. In the sixteenth O site, O(16) is bonded to one Li(1), one Li(3), one V(3), one V(5), and one Mn(2) atom to form OLi2MnV2 square pyramids that share  a cornercorner with one O(10)Li2MnV2 square pyramid,  a cornercorner with one O(11)Li2MnV2 square pyramid,  a cornercorner with one O(13)Li2MnV2 square pyramid,  a cornercorner with one O(8)Li2MnV2 square pyramid, corners with two equivalent O(5)Li2MnV2 square pyramids, corners with three equivalent O(6)Li2MnV2 square pyramids,  an edgeedge with one O(1)Li3V3 octahedra,  an edgeedge with one O(2)Li3V3 octahedra, edges with two equivalent O(3)Li3V3 octahedra,  an edgeedge with one O(10)Li2MnV2 square pyramid,  an edgeedge with one O(12)Li2MnV2 square pyramid,  an edgeedge with one O(14)Li2MnV2 square pyramid, and  an edgeedge with one O(8)Li2MnV2 square pyramid.