Li2V3MnO8 is Spinel-derived structured and crystallizes in the triclinic P1 space group. There are four inequivalent Li sites. In the first Li site, Li(1) is bonded to one O(1), one O(6), one O(7), and one O(9) atom to form LiO4 tetrahedra that share  a cornercorner with one V(4)O6 octahedra,  a cornercorner with one V(5)O6 octahedra,  a cornercorner with one Mn(2)O6 octahedra, corners with two equivalent V(1)O6 octahedra, corners with two equivalent V(2)O6 octahedra, corners with two equivalent Mn(1)O6 octahedra, and corners with three equivalent V(3)O6 octahedra. The corner-sharing octahedral tilt angles range from 55-62°. In the second Li site, Li(2) is bonded to one O(10), one O(2), one O(5), and one O(8) atom to form LiO4 tetrahedra that share  a cornercorner with one V(1)O6 octahedra,  a cornercorner with one V(2)O6 octahedra,  a cornercorner with one Mn(1)O6 octahedra, corners with two equivalent V(4)O6 octahedra, corners with two equivalent V(5)O6 octahedra, corners with two equivalent Mn(2)O6 octahedra, and corners with three equivalent V(6)O6 octahedra. The corner-sharing octahedral tilt angles range from 57-62°. In the third Li site, Li(3) is bonded to one O(11), one O(13), one O(16), and one O(3) atom to form LiO4 tetrahedra that share  a cornercorner with one V(4)O6 octahedra,  a cornercorner with one V(5)O6 octahedra,  a cornercorner with one Mn(2)O6 octahedra, corners with two equivalent V(1)O6 octahedra, corners with two equivalent V(2)O6 octahedra, corners with two equivalent Mn(1)O6 octahedra, and corners with three equivalent V(6)O6 octahedra. The corner-sharing octahedral tilt angles range from 56-63°. In the fourth Li site, Li(4) is bonded to one O(12), one O(14), one O(15), and one O(4) atom to form LiO4 tetrahedra that share  a cornercorner with one V(1)O6 octahedra,  a cornercorner with one V(2)O6 octahedra,  a cornercorner with one Mn(1)O6 octahedra, corners with two equivalent V(4)O6 octahedra, corners with two equivalent V(5)O6 octahedra, corners with two equivalent Mn(2)O6 octahedra, and corners with three equivalent V(3)O6 octahedra. The corner-sharing octahedral tilt angles range from 56-62°. There are six inequivalent V sites. In the first V site, V(1) is bonded to one O(1), one O(13), one O(15), one O(3), one O(5), and one O(7) atom to form VO6 octahedra that share  a cornercorner with one Li(2)O4 tetrahedra,  a cornercorner with one Li(4)O4 tetrahedra, corners with two equivalent Li(1)O4 tetrahedra, corners with two equivalent Li(3)O4 tetrahedra,  an edgeedge with one V(3)O6 octahedra,  an edgeedge with one V(6)O6 octahedra, edges with two equivalent V(2)O6 octahedra, and edges with two equivalent Mn(1)O6 octahedra. In the second V site, V(2) is bonded to one O(1), one O(11), one O(15), one O(3), one O(5), and one O(9) atom to form VO6 octahedra that share  a cornercorner with one Li(2)O4 tetrahedra,  a cornercorner with one Li(4)O4 tetrahedra, corners with two equivalent Li(1)O4 tetrahedra, corners with two equivalent Li(3)O4 tetrahedra,  an edgeedge with one V(3)O6 octahedra,  an edgeedge with one V(6)O6 octahedra, edges with two equivalent V(1)O6 octahedra, and edges with two equivalent Mn(1)O6 octahedra. In the third V site, V(3) 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(1)O4 tetrahedra, corners with three equivalent Li(4)O4 tetrahedra,  an edgeedge with one V(1)O6 octahedra,  an edgeedge with one V(2)O6 octahedra,  an edgeedge with one V(4)O6 octahedra,  an edgeedge with one V(5)O6 octahedra,  an edgeedge with one Mn(1)O6 octahedra, and  an edgeedge with one Mn(2)O6 octahedra. In the fourth V site, V(4) is bonded to one O(14), one O(16), one O(2), one O(4), one O(6), and one O(8) atom to form VO6 octahedra that share  a cornercorner with one Li(1)O4 tetrahedra,  a cornercorner with one Li(3)O4 tetrahedra, corners with two equivalent Li(2)O4 tetrahedra, corners with two equivalent Li(4)O4 tetrahedra,  an edgeedge with one V(3)O6 octahedra,  an edgeedge with one V(6)O6 octahedra, edges with two equivalent V(5)O6 octahedra, and edges with two equivalent Mn(2)O6 octahedra. In the fifth V site, V(5) is bonded to one O(10), one O(12), one O(16), one O(2), one O(4), and one O(6) atom to form VO6 octahedra that share  a cornercorner with one Li(1)O4 tetrahedra,  a cornercorner with one Li(3)O4 tetrahedra, corners with two equivalent Li(2)O4 tetrahedra, corners with two equivalent Li(4)O4 tetrahedra,  an edgeedge with one V(3)O6 octahedra,  an edgeedge with one V(6)O6 octahedra, edges with two equivalent V(4)O6 octahedra, and edges with two equivalent Mn(2)O6 octahedra. In the sixth V site, V(6) 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(2)O4 tetrahedra, corners with three equivalent Li(3)O4 tetrahedra,  an edgeedge with one V(1)O6 octahedra,  an edgeedge with one V(2)O6 octahedra,  an edgeedge with one V(4)O6 octahedra,  an edgeedge with one V(5)O6 octahedra,  an edgeedge with one Mn(1)O6 octahedra, and  an edgeedge with one Mn(2)O6 octahedra. 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  a cornercorner with one Li(2)O4 tetrahedra,  a cornercorner with one Li(4)O4 tetrahedra, corners with two equivalent Li(1)O4 tetrahedra, corners with two equivalent Li(3)O4 tetrahedra,  an edgeedge with one V(3)O6 octahedra,  an edgeedge with one V(6)O6 octahedra, edges with two equivalent V(1)O6 octahedra, and edges with two equivalent V(2)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  a cornercorner with one Li(1)O4 tetrahedra,  a cornercorner with one Li(3)O4 tetrahedra, corners with two equivalent Li(2)O4 tetrahedra, corners with two equivalent Li(4)O4 tetrahedra,  an edgeedge with one V(3)O6 octahedra,  an edgeedge with one V(6)O6 octahedra, edges with two equivalent V(4)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 in a rectangular see-saw-like geometry to one Li(1), one V(1), one V(2), and one V(3) atom. In the second O site, O(2) is bonded in a distorted rectangular see-saw-like geometry to one Li(2), one V(4), one V(5), and one V(6) atom. In the third O site, O(3) is bonded in a distorted rectangular see-saw-like geometry to one Li(3), one V(1), one V(2), and one V(6) atom. In the fourth O site, O(4) is bonded in a distorted rectangular see-saw-like geometry to one Li(4), one V(3), one V(4), and one V(5) atom. In the fifth O site, O(5) is bonded in a rectangular see-saw-like geometry to one Li(2), one V(1), one V(2), and one Mn(1) atom. In the sixth O site, O(6) is bonded in a distorted rectangular see-saw-like geometry to one Li(1), one V(4), one V(5), and one Mn(2) atom. In the seventh O site, O(7) is bonded to one Li(1), one V(1), one V(3), and one Mn(1) atom to form distorted corner-sharing OLiMnV2 trigonal pyramids. In the eighth O site, O(8) is bonded to one Li(2), one V(4), one V(6), and one Mn(2) atom to form a mixture of distorted edge and corner-sharing OLiMnV2 trigonal pyramids. In the ninth O site, O(9) is bonded in a rectangular see-saw-like geometry to one Li(1), one V(2), one V(3), and one Mn(1) atom. In the tenth O site, O(10) is bonded to one Li(2), one V(5), one V(6), and one Mn(2) atom to form a mixture of distorted edge and corner-sharing OLiMnV2 trigonal pyramids. In the eleventh O site, O(11) is bonded in a rectangular see-saw-like geometry to one Li(3), one V(2), one V(6), and one Mn(1) atom. In the twelfth O site, O(12) is bonded to one Li(4), one V(3), one V(5), and one Mn(2) atom to form a mixture of distorted edge and corner-sharing OLiMnV2 trigonal pyramids. In the thirteenth O site, O(13) is bonded to one Li(3), one V(1), one V(6), and one Mn(1) atom to form distorted corner-sharing OLiMnV2 trigonal pyramids. In the fourteenth O site, O(14) is bonded to one Li(4), one V(3), one V(4), and one Mn(2) atom to form a mixture of distorted edge and corner-sharing OLiMnV2 trigonal pyramids. In the fifteenth O site, O(15) is bonded in a rectangular see-saw-like geometry to one Li(4), one V(1), one V(2), and one Mn(1) atom. In the sixteenth O site, O(16) is bonded in a rectangular see-saw-like geometry to one Li(3), one V(4), one V(5), and one Mn(2) atom.
Li2V3MnO8 is Spinel-derived structured and crystallizes in the triclinic P1 space group. There are four inequivalent Li sites. In the first Li site, Li(1) is bonded to one O(1), one O(6), one O(7), and one O(9) atom to form LiO4 tetrahedra that share  a cornercorner with one V(4)O6 octahedra,  a cornercorner with one V(5)O6 octahedra,  a cornercorner with one Mn(2)O6 octahedra, corners with two equivalent V(1)O6 octahedra, corners with two equivalent V(2)O6 octahedra, corners with two equivalent Mn(1)O6 octahedra, and corners with three equivalent V(3)O6 octahedra. The corner-sharing octahedral tilt angles range from 55-62°. The Li(1)-O(1) bond length is 1.99 Å. The Li(1)-O(6) bond length is 2.03 Å. The Li(1)-O(7) bond length is 2.01 Å. The Li(1)-O(9) bond length is 2.01 Å. In the second Li site, Li(2) is bonded to one O(10), one O(2), one O(5), and one O(8) atom to form LiO4 tetrahedra that share  a cornercorner with one V(1)O6 octahedra,  a cornercorner with one V(2)O6 octahedra,  a cornercorner with one Mn(1)O6 octahedra, corners with two equivalent V(4)O6 octahedra, corners with two equivalent V(5)O6 octahedra, corners with two equivalent Mn(2)O6 octahedra, and corners with three equivalent V(6)O6 octahedra. The corner-sharing octahedral tilt angles range from 57-62°. The Li(2)-O(10) bond length is 2.00 Å. The Li(2)-O(2) bond length is 1.99 Å. The Li(2)-O(5) bond length is 2.03 Å. The Li(2)-O(8) bond length is 2.03 Å. In the third Li site, Li(3) is bonded to one O(11), one O(13), one O(16), and one O(3) atom to form LiO4 tetrahedra that share  a cornercorner with one V(4)O6 octahedra,  a cornercorner with one V(5)O6 octahedra,  a cornercorner with one Mn(2)O6 octahedra, corners with two equivalent V(1)O6 octahedra, corners with two equivalent V(2)O6 octahedra, corners with two equivalent Mn(1)O6 octahedra, and corners with three equivalent V(6)O6 octahedra. The corner-sharing octahedral tilt angles range from 56-63°. The Li(3)-O(11) bond length is 2.02 Å. The Li(3)-O(13) bond length is 2.03 Å. The Li(3)-O(16) bond length is 2.03 Å. The Li(3)-O(3) bond length is 1.99 Å. In the fourth Li site, Li(4) is bonded to one O(12), one O(14), one O(15), and one O(4) atom to form LiO4 tetrahedra that share  a cornercorner with one V(1)O6 octahedra,  a cornercorner with one V(2)O6 octahedra,  a cornercorner with one Mn(1)O6 octahedra, corners with two equivalent V(4)O6 octahedra, corners with two equivalent V(5)O6 octahedra, corners with two equivalent Mn(2)O6 octahedra, and corners with three equivalent V(3)O6 octahedra. The corner-sharing octahedral tilt angles range from 56-62°. The Li(4)-O(12) bond length is 2.00 Å. The Li(4)-O(14) bond length is 2.02 Å. The Li(4)-O(15) bond length is 2.03 Å. The Li(4)-O(4) bond length is 1.99 Å. There are six inequivalent V sites. In the first V site, V(1) is bonded to one O(1), one O(13), one O(15), one O(3), one O(5), and one O(7) atom to form VO6 octahedra that share  a cornercorner with one Li(2)O4 tetrahedra,  a cornercorner with one Li(4)O4 tetrahedra, corners with two equivalent Li(1)O4 tetrahedra, corners with two equivalent Li(3)O4 tetrahedra,  an edgeedge with one V(3)O6 octahedra,  an edgeedge with one V(6)O6 octahedra, edges with two equivalent V(2)O6 octahedra, and edges with two equivalent Mn(1)O6 octahedra. The V(1)-O(1) bond length is 2.04 Å. The V(1)-O(13) bond length is 2.05 Å. The V(1)-O(15) bond length is 2.07 Å. The V(1)-O(3) bond length is 2.05 Å. The V(1)-O(5) bond length is 2.06 Å. The V(1)-O(7) bond length is 2.04 Å. In the second V site, V(2) is bonded to one O(1), one O(11), one O(15), one O(3), one O(5), and one O(9) atom to form VO6 octahedra that share  a cornercorner with one Li(2)O4 tetrahedra,  a cornercorner with one Li(4)O4 tetrahedra, corners with two equivalent Li(1)O4 tetrahedra, corners with two equivalent Li(3)O4 tetrahedra,  an edgeedge with one V(3)O6 octahedra,  an edgeedge with one V(6)O6 octahedra, edges with two equivalent V(1)O6 octahedra, and edges with two equivalent Mn(1)O6 octahedra. The V(2)-O(1) bond length is 1.92 Å. The V(2)-O(11) bond length is 2.01 Å. The V(2)-O(15) bond length is 2.01 Å. The V(2)-O(3) bond length is 1.93 Å. The V(2)-O(5) bond length is 2.01 Å. The V(2)-O(9) bond length is 2.00 Å. In the third V site, V(3) 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(1)O4 tetrahedra, corners with three equivalent Li(4)O4 tetrahedra,  an edgeedge with one V(1)O6 octahedra,  an edgeedge with one V(2)O6 octahedra,  an edgeedge with one V(4)O6 octahedra,  an edgeedge with one V(5)O6 octahedra,  an edgeedge with one Mn(1)O6 octahedra, and  an edgeedge with one Mn(2)O6 octahedra. The V(3)-O(1) bond length is 2.04 Å. The V(3)-O(12) bond length is 2.07 Å. The V(3)-O(14) bond length is 2.03 Å. The V(3)-O(4) bond length is 2.06 Å. The V(3)-O(7) bond length is 2.02 Å. The V(3)-O(9) bond length is 2.07 Å. In the fourth V site, V(4) is bonded to one O(14), one O(16), one O(2), one O(4), one O(6), and one O(8) atom to form VO6 octahedra that share  a cornercorner with one Li(1)O4 tetrahedra,  a cornercorner with one Li(3)O4 tetrahedra, corners with two equivalent Li(2)O4 tetrahedra, corners with two equivalent Li(4)O4 tetrahedra,  an edgeedge with one V(3)O6 octahedra,  an edgeedge with one V(6)O6 octahedra, edges with two equivalent V(5)O6 octahedra, and edges with two equivalent Mn(2)O6 octahedra. The V(4)-O(14) bond length is 2.00 Å. The V(4)-O(16) bond length is 2.00 Å. The V(4)-O(2) bond length is 1.93 Å. The V(4)-O(4) bond length is 1.91 Å. The V(4)-O(6) bond length is 2.00 Å. The V(4)-O(8) bond length is 2.01 Å. In the fifth V site, V(5) is bonded to one O(10), one O(12), one O(16), one O(2), one O(4), and one O(6) atom to form VO6 octahedra that share  a cornercorner with one Li(1)O4 tetrahedra,  a cornercorner with one Li(3)O4 tetrahedra, corners with two equivalent Li(2)O4 tetrahedra, corners with two equivalent Li(4)O4 tetrahedra,  an edgeedge with one V(3)O6 octahedra,  an edgeedge with one V(6)O6 octahedra, edges with two equivalent V(4)O6 octahedra, and edges with two equivalent Mn(2)O6 octahedra. The V(5)-O(10) bond length is 2.00 Å. The V(5)-O(12) bond length is 1.99 Å. The V(5)-O(16) bond length is 2.08 Å. The V(5)-O(2) bond length is 2.04 Å. The V(5)-O(4) bond length is 2.04 Å. The V(5)-O(6) bond length is 2.08 Å. In the sixth V site, V(6) 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(2)O4 tetrahedra, corners with three equivalent Li(3)O4 tetrahedra,  an edgeedge with one V(1)O6 octahedra,  an edgeedge with one V(2)O6 octahedra,  an edgeedge with one V(4)O6 octahedra,  an edgeedge with one V(5)O6 octahedra,  an edgeedge with one Mn(1)O6 octahedra, and  an edgeedge with one Mn(2)O6 octahedra. The V(6)-O(10) bond length is 2.08 Å. The V(6)-O(11) bond length is 2.07 Å. The V(6)-O(13) bond length is 2.01 Å. The V(6)-O(2) bond length is 2.03 Å. The V(6)-O(3) bond length is 2.03 Å. The V(6)-O(8) bond length is 2.03 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  a cornercorner with one Li(2)O4 tetrahedra,  a cornercorner with one Li(4)O4 tetrahedra, corners with two equivalent Li(1)O4 tetrahedra, corners with two equivalent Li(3)O4 tetrahedra,  an edgeedge with one V(3)O6 octahedra,  an edgeedge with one V(6)O6 octahedra, edges with two equivalent V(1)O6 octahedra, and edges with two equivalent V(2)O6 octahedra. The Mn(1)-O(11) bond length is 1.95 Å. The Mn(1)-O(13) bond length is 1.95 Å. The Mn(1)-O(15) bond length is 1.96 Å. The Mn(1)-O(5) bond length is 1.97 Å. The Mn(1)-O(7) bond length is 1.96 Å. The Mn(1)-O(9) bond length is 1.96 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  a cornercorner with one Li(1)O4 tetrahedra,  a cornercorner with one Li(3)O4 tetrahedra, corners with two equivalent Li(2)O4 tetrahedra, corners with two equivalent Li(4)O4 tetrahedra,  an edgeedge with one V(3)O6 octahedra,  an edgeedge with one V(6)O6 octahedra, edges with two equivalent V(4)O6 octahedra, and edges with two equivalent V(5)O6 octahedra. The Mn(2)-O(10) bond length is 1.95 Å. The Mn(2)-O(12) bond length is 1.96 Å. The Mn(2)-O(14) bond length is 1.99 Å. The Mn(2)-O(16) bond length is 1.96 Å. The Mn(2)-O(6) bond length is 1.96 Å. The Mn(2)-O(8) bond length is 1.98 Å. There are sixteen inequivalent O sites. In the first O site, O(1) is bonded in a rectangular see-saw-like geometry to one Li(1), one V(1), one V(2), and one V(3) atom. In the second O site, O(2) is bonded in a distorted rectangular see-saw-like geometry to one Li(2), one V(4), one V(5), and one V(6) atom. In the third O site, O(3) is bonded in a distorted rectangular see-saw-like geometry to one Li(3), one V(1), one V(2), and one V(6) atom. In the fourth O site, O(4) is bonded in a distorted rectangular see-saw-like geometry to one Li(4), one V(3), one V(4), and one V(5) atom. In the fifth O site, O(5) is bonded in a rectangular see-saw-like geometry to one Li(2), one V(1), one V(2), and one Mn(1) atom. In the sixth O site, O(6) is bonded in a distorted rectangular see-saw-like geometry to one Li(1), one V(4), one V(5), and one Mn(2) atom. In the seventh O site, O(7) is bonded to one Li(1), one V(1), one V(3), and one Mn(1) atom to form distorted corner-sharing OLiMnV2 trigonal pyramids. In the eighth O site, O(8) is bonded to one Li(2), one V(4), one V(6), and one Mn(2) atom to form a mixture of distorted edge and corner-sharing OLiMnV2 trigonal pyramids. In the ninth O site, O(9) is bonded in a rectangular see-saw-like geometry to one Li(1), one V(2), one V(3), and one Mn(1) atom. In the tenth O site, O(10) is bonded to one Li(2), one V(5), one V(6), and one Mn(2) atom to form a mixture of distorted edge and corner-sharing OLiMnV2 trigonal pyramids. In the eleventh O site, O(11) is bonded in a rectangular see-saw-like geometry to one Li(3), one V(2), one V(6), and one Mn(1) atom. In the twelfth O site, O(12) is bonded to one Li(4), one V(3), one V(5), and one Mn(2) atom to form a mixture of distorted edge and corner-sharing OLiMnV2 trigonal pyramids. In the thirteenth O site, O(13) is bonded to one Li(3), one V(1), one V(6), and one Mn(1) atom to form distorted corner-sharing OLiMnV2 trigonal pyramids. In the fourteenth O site, O(14) is bonded to one Li(4), one V(3), one V(4), and one Mn(2) atom to form a mixture of distorted edge and corner-sharing OLiMnV2 trigonal pyramids. In the fifteenth O site, O(15) is bonded in a rectangular see-saw-like geometry to one Li(4), one V(1), one V(2), and one Mn(1) atom. In the sixteenth O site, O(16) is bonded in a rectangular see-saw-like geometry to one Li(3), one V(4), one V(5), and one Mn(2) atom.