Li4V2Mn3Co3O16 is Spinel-derived structured and crystallizes in the monoclinic Cm space group. There are four inequivalent Li sites. In the first Li site, Li(1) is bonded to one O(12), one O(3), and two equivalent O(9) atoms to form LiO4 tetrahedra that share  a cornercorner with one Mn(1)O6 octahedra, corners with two equivalent Co(1)O6 octahedra, corners with two equivalent Co(2)O6 octahedra, corners with three equivalent V(2)O6 octahedra, and corners with four equivalent Mn(2)O6 octahedra. The corner-sharing octahedral tilt angles range from 55-63°. In the second Li site, Li(2) is bonded to one O(5), one O(7), and two equivalent O(11) atoms to form LiO4 tetrahedra that share  a cornercorner with one Co(2)O6 octahedra, corners with two equivalent Mn(2)O6 octahedra, corners with three equivalent V(2)O6 octahedra,  an edgeedge with one Mn(1)O6 octahedra, and edges with two equivalent Co(1)O6 octahedra. The corner-sharing octahedral tilt angles range from 50-64°. In the third Li site, Li(3) is bonded in a rectangular see-saw-like geometry to one O(4), one O(8), and two equivalent O(1) atoms. In the fourth Li site, Li(4) is bonded to one O(10), one O(2), and two equivalent O(6) atoms to form LiO4 tetrahedra that share  a cornercorner with one Co(2)O6 octahedra, corners with two equivalent Mn(1)O6 octahedra, corners with two equivalent Mn(2)O6 octahedra, corners with three equivalent V(1)O6 octahedra, and corners with four equivalent Co(1)O6 octahedra. The corner-sharing octahedral tilt angles range from 49-66°. There are two inequivalent V sites. In the first V site, V(1) is bonded to one O(2), one O(8), two equivalent O(1), and two equivalent O(6) atoms to form VO6 octahedra that share corners with two equivalent Co(2)O6 octahedra, corners with four equivalent Mn(2)O6 octahedra, corners with three equivalent Li(4)O4 tetrahedra,  an edgeedge with one Mn(1)O6 octahedra, and edges with two equivalent Co(1)O6 octahedra. The corner-sharing octahedral tilt angles range from 50-52°. In the second V site, V(2) is bonded to one O(12), one O(7), two equivalent O(11), and two equivalent O(9) atoms to form distorted VO6 octahedra that share corners with two equivalent Mn(1)O6 octahedra, corners with four equivalent Co(1)O6 octahedra, corners with three equivalent Li(1)O4 tetrahedra, corners with three equivalent Li(2)O4 tetrahedra,  an edgeedge with one Co(2)O6 octahedra, and edges with two equivalent Mn(2)O6 octahedra. The corner-sharing octahedral tilt angles range from 48-52°. There are two inequivalent Mn sites. In the first Mn site, Mn(1) is bonded to one O(3), one O(4), two equivalent O(11), and two equivalent O(6) atoms to form MnO6 octahedra that share corners with two equivalent V(2)O6 octahedra,  a cornercorner with one Li(1)O4 tetrahedra, corners with two equivalent Li(4)O4 tetrahedra,  an edgeedge with one V(1)O6 octahedra, edges with four equivalent Co(1)O6 octahedra, and  an edgeedge with one Li(2)O4 tetrahedra. The corner-sharing octahedral tilt angles are 48°. In the second Mn site, Mn(2) is bonded to one O(1), one O(10), one O(12), one O(5), one O(8), and one O(9) atom to form MnO6 octahedra that share corners with two equivalent V(1)O6 octahedra,  a cornercorner with one Li(2)O4 tetrahedra,  a cornercorner with one Li(4)O4 tetrahedra, corners with two equivalent Li(1)O4 tetrahedra,  an edgeedge with one V(2)O6 octahedra, edges with two equivalent Mn(2)O6 octahedra, and edges with two equivalent Co(2)O6 octahedra. The corner-sharing octahedral tilt angles are 52°. There are two inequivalent Co sites. In the first Co site, Co(1) is bonded to one O(11), one O(2), one O(3), one O(4), one O(6), and one O(7) atom to form CoO6 octahedra that share corners with two equivalent V(2)O6 octahedra,  a cornercorner with one Li(1)O4 tetrahedra, corners with two equivalent Li(4)O4 tetrahedra,  an edgeedge with one V(1)O6 octahedra, edges with two equivalent Mn(1)O6 octahedra, edges with two equivalent Co(1)O6 octahedra, and  an edgeedge with one Li(2)O4 tetrahedra. The corner-sharing octahedral tilt angles range from 51-52°. In the second Co site, Co(2) is bonded to one O(10), one O(5), two equivalent O(1), and two equivalent O(9) atoms to form CoO6 octahedra that share corners with two equivalent V(1)O6 octahedra,  a cornercorner with one Li(2)O4 tetrahedra,  a cornercorner with one Li(4)O4 tetrahedra, corners with two equivalent Li(1)O4 tetrahedra,  an edgeedge with one V(2)O6 octahedra, and edges with four equivalent Mn(2)O6 octahedra. The corner-sharing octahedral tilt angles are 50°. There are twelve inequivalent O sites. In the first O site, O(1) is bonded in a rectangular see-saw-like geometry to one Li(3), one V(1), one Mn(2), and one Co(2) atom. In the second O site, O(2) is bonded to one Li(4), one V(1), and two equivalent Co(1) atoms to form distorted OLiVCo2 tetrahedra that share  a cornercorner with one O(10)LiMn2Co tetrahedra and corners with two equivalent O(4)LiMnCo2 tetrahedra. In the third O site, O(3) is bonded in a rectangular see-saw-like geometry to one Li(1), one Mn(1), and two equivalent Co(1) atoms. In the fourth O site, O(4) is bonded to one Li(3), one Mn(1), and two equivalent Co(1) atoms to form corner-sharing OLiMnCo2 tetrahedra. In the fifth O site, O(5) is bonded to one Li(2), two equivalent Mn(2), and one Co(2) atom to form OLiMn2Co tetrahedra that share corners with two equivalent O(12)LiMn2V tetrahedra, corners with three equivalent O(10)LiMn2Co tetrahedra, and corners with four equivalent O(9)LiMnVCo tetrahedra. In the sixth O site, O(6) is bonded in a distorted rectangular see-saw-like geometry to one Li(4), one V(1), one Mn(1), and one Co(1) atom. In the seventh O site, O(7) is bonded in a distorted rectangular see-saw-like geometry to one Li(2), one V(2), and two equivalent Co(1) atoms. In the eighth O site, O(8) is bonded in a rectangular see-saw-like geometry to one Li(3), one V(1), and two equivalent Mn(2) atoms. In the ninth O site, O(9) is bonded to one Li(1), one V(2), one Mn(2), and one Co(2) atom to form distorted OLiMnVCo tetrahedra that share  a cornercorner with one O(12)LiMn2V tetrahedra,  a cornercorner with one O(9)LiMnVCo tetrahedra, corners with two equivalent O(5)LiMn2Co tetrahedra,  an edgeedge with one O(10)LiMn2Co tetrahedra,  an edgeedge with one O(12)LiMn2V tetrahedra, and  an edgeedge with one O(9)LiMnVCo tetrahedra. In the tenth O site, O(10) is bonded to one Li(4), two equivalent Mn(2), and one Co(2) atom to form distorted OLiMn2Co tetrahedra that share  a cornercorner with one O(2)LiVCo2 tetrahedra, corners with three equivalent O(5)LiMn2Co tetrahedra,  an edgeedge with one O(12)LiMn2V tetrahedra, and edges with two equivalent O(9)LiMnVCo tetrahedra. In the eleventh O site, O(11) is bonded in a distorted rectangular see-saw-like geometry to one Li(2), one V(2), one Mn(1), and one Co(1) atom. In the twelfth O site, O(12) is bonded to one Li(1), one V(2), and two equivalent Mn(2) atoms to form distorted OLiMn2V tetrahedra that share corners with two equivalent O(5)LiMn2Co tetrahedra, corners with two equivalent O(9)LiMnVCo tetrahedra,  an edgeedge with one O(10)LiMn2Co tetrahedra, and edges with two equivalent O(9)LiMnVCo tetrahedra.
Li4V2Mn3Co3O16 is Spinel-derived structured and crystallizes in the monoclinic Cm space group. There are four inequivalent Li sites. In the first Li site, Li(1) is bonded to one O(12), one O(3), and two equivalent O(9) atoms to form LiO4 tetrahedra that share  a cornercorner with one Mn(1)O6 octahedra, corners with two equivalent Co(1)O6 octahedra, corners with two equivalent Co(2)O6 octahedra, corners with three equivalent V(2)O6 octahedra, and corners with four equivalent Mn(2)O6 octahedra. The corner-sharing octahedral tilt angles range from 55-63°. The Li(1)-O(12) bond length is 2.00 Å. The Li(1)-O(3) bond length is 1.98 Å. Both Li(1)-O(9) bond lengths are 1.96 Å. In the second Li site, Li(2) is bonded to one O(5), one O(7), and two equivalent O(11) atoms to form LiO4 tetrahedra that share  a cornercorner with one Co(2)O6 octahedra, corners with two equivalent Mn(2)O6 octahedra, corners with three equivalent V(2)O6 octahedra,  an edgeedge with one Mn(1)O6 octahedra, and edges with two equivalent Co(1)O6 octahedra. The corner-sharing octahedral tilt angles range from 50-64°. The Li(2)-O(5) bond length is 1.81 Å. The Li(2)-O(7) bond length is 1.94 Å. Both Li(2)-O(11) bond lengths are 1.96 Å. In the third Li site, Li(3) is bonded in a rectangular see-saw-like geometry to one O(4), one O(8), and two equivalent O(1) atoms. The Li(3)-O(4) bond length is 1.80 Å. The Li(3)-O(8) bond length is 1.97 Å. Both Li(3)-O(1) bond lengths are 1.98 Å. In the fourth Li site, Li(4) is bonded to one O(10), one O(2), and two equivalent O(6) atoms to form LiO4 tetrahedra that share  a cornercorner with one Co(2)O6 octahedra, corners with two equivalent Mn(1)O6 octahedra, corners with two equivalent Mn(2)O6 octahedra, corners with three equivalent V(1)O6 octahedra, and corners with four equivalent Co(1)O6 octahedra. The corner-sharing octahedral tilt angles range from 49-66°. The Li(4)-O(10) bond length is 2.00 Å. The Li(4)-O(2) bond length is 1.93 Å. Both Li(4)-O(6) bond lengths are 1.95 Å. There are two inequivalent V sites. In the first V site, V(1) is bonded to one O(2), one O(8), two equivalent O(1), and two equivalent O(6) atoms to form VO6 octahedra that share corners with two equivalent Co(2)O6 octahedra, corners with four equivalent Mn(2)O6 octahedra, corners with three equivalent Li(4)O4 tetrahedra,  an edgeedge with one Mn(1)O6 octahedra, and edges with two equivalent Co(1)O6 octahedra. The corner-sharing octahedral tilt angles range from 50-52°. The V(1)-O(2) bond length is 1.81 Å. The V(1)-O(8) bond length is 2.17 Å. Both V(1)-O(1) bond lengths are 2.00 Å. Both V(1)-O(6) bond lengths are 2.02 Å. In the second V site, V(2) is bonded to one O(12), one O(7), two equivalent O(11), and two equivalent O(9) atoms to form distorted VO6 octahedra that share corners with two equivalent Mn(1)O6 octahedra, corners with four equivalent Co(1)O6 octahedra, corners with three equivalent Li(1)O4 tetrahedra, corners with three equivalent Li(2)O4 tetrahedra,  an edgeedge with one Co(2)O6 octahedra, and edges with two equivalent Mn(2)O6 octahedra. The corner-sharing octahedral tilt angles range from 48-52°. The V(2)-O(12) bond length is 2.17 Å. The V(2)-O(7) bond length is 1.76 Å. Both V(2)-O(11) bond lengths are 1.84 Å. Both V(2)-O(9) bond lengths are 2.08 Å. There are two inequivalent Mn sites. In the first Mn site, Mn(1) is bonded to one O(3), one O(4), two equivalent O(11), and two equivalent O(6) atoms to form MnO6 octahedra that share corners with two equivalent V(2)O6 octahedra,  a cornercorner with one Li(1)O4 tetrahedra, corners with two equivalent Li(4)O4 tetrahedra,  an edgeedge with one V(1)O6 octahedra, edges with four equivalent Co(1)O6 octahedra, and  an edgeedge with one Li(2)O4 tetrahedra. The corner-sharing octahedral tilt angles are 48°. The Mn(1)-O(3) bond length is 1.89 Å. The Mn(1)-O(4) bond length is 1.89 Å. Both Mn(1)-O(11) bond lengths are 2.10 Å. Both Mn(1)-O(6) bond lengths are 1.90 Å. In the second Mn site, Mn(2) is bonded to one O(1), one O(10), one O(12), one O(5), one O(8), and one O(9) atom to form MnO6 octahedra that share corners with two equivalent V(1)O6 octahedra,  a cornercorner with one Li(2)O4 tetrahedra,  a cornercorner with one Li(4)O4 tetrahedra, corners with two equivalent Li(1)O4 tetrahedra,  an edgeedge with one V(2)O6 octahedra, edges with two equivalent Mn(2)O6 octahedra, and edges with two equivalent Co(2)O6 octahedra. The corner-sharing octahedral tilt angles are 52°. The Mn(2)-O(1) bond length is 2.00 Å. The Mn(2)-O(10) bond length is 1.93 Å. The Mn(2)-O(12) bond length is 1.95 Å. The Mn(2)-O(5) bond length is 1.94 Å. The Mn(2)-O(8) bond length is 1.99 Å. The Mn(2)-O(9) bond length is 1.93 Å. There are two inequivalent Co sites. In the first Co site, Co(1) is bonded to one O(11), one O(2), one O(3), one O(4), one O(6), and one O(7) atom to form CoO6 octahedra that share corners with two equivalent V(2)O6 octahedra,  a cornercorner with one Li(1)O4 tetrahedra, corners with two equivalent Li(4)O4 tetrahedra,  an edgeedge with one V(1)O6 octahedra, edges with two equivalent Mn(1)O6 octahedra, edges with two equivalent Co(1)O6 octahedra, and  an edgeedge with one Li(2)O4 tetrahedra. The corner-sharing octahedral tilt angles range from 51-52°. The Co(1)-O(11) bond length is 2.19 Å. The Co(1)-O(2) bond length is 2.10 Å. The Co(1)-O(3) bond length is 1.95 Å. The Co(1)-O(4) bond length is 1.94 Å. The Co(1)-O(6) bond length is 2.14 Å. The Co(1)-O(7) bond length is 2.16 Å. In the second Co site, Co(2) is bonded to one O(10), one O(5), two equivalent O(1), and two equivalent O(9) atoms to form CoO6 octahedra that share corners with two equivalent V(1)O6 octahedra,  a cornercorner with one Li(2)O4 tetrahedra,  a cornercorner with one Li(4)O4 tetrahedra, corners with two equivalent Li(1)O4 tetrahedra,  an edgeedge with one V(2)O6 octahedra, and edges with four equivalent Mn(2)O6 octahedra. The corner-sharing octahedral tilt angles are 50°. The Co(2)-O(10) bond length is 1.91 Å. The Co(2)-O(5) bond length is 1.92 Å. Both Co(2)-O(1) bond lengths are 2.01 Å. Both Co(2)-O(9) bond lengths are 2.04 Å. There are twelve inequivalent O sites. In the first O site, O(1) is bonded in a rectangular see-saw-like geometry to one Li(3), one V(1), one Mn(2), and one Co(2) atom. In the second O site, O(2) is bonded to one Li(4), one V(1), and two equivalent Co(1) atoms to form distorted OLiVCo2 tetrahedra that share  a cornercorner with one O(10)LiMn2Co tetrahedra and corners with two equivalent O(4)LiMnCo2 tetrahedra. In the third O site, O(3) is bonded in a rectangular see-saw-like geometry to one Li(1), one Mn(1), and two equivalent Co(1) atoms. In the fourth O site, O(4) is bonded to one Li(3), one Mn(1), and two equivalent Co(1) atoms to form corner-sharing OLiMnCo2 tetrahedra. In the fifth O site, O(5) is bonded to one Li(2), two equivalent Mn(2), and one Co(2) atom to form OLiMn2Co tetrahedra that share corners with two equivalent O(12)LiMn2V tetrahedra, corners with three equivalent O(10)LiMn2Co tetrahedra, and corners with four equivalent O(9)LiMnVCo tetrahedra. In the sixth O site, O(6) is bonded in a distorted rectangular see-saw-like geometry to one Li(4), one V(1), one Mn(1), and one Co(1) atom. In the seventh O site, O(7) is bonded in a distorted rectangular see-saw-like geometry to one Li(2), one V(2), and two equivalent Co(1) atoms. In the eighth O site, O(8) is bonded in a rectangular see-saw-like geometry to one Li(3), one V(1), and two equivalent Mn(2) atoms. In the ninth O site, O(9) is bonded to one Li(1), one V(2), one Mn(2), and one Co(2) atom to form distorted OLiMnVCo tetrahedra that share  a cornercorner with one O(12)LiMn2V tetrahedra,  a cornercorner with one O(9)LiMnVCo tetrahedra, corners with two equivalent O(5)LiMn2Co tetrahedra,  an edgeedge with one O(10)LiMn2Co tetrahedra,  an edgeedge with one O(12)LiMn2V tetrahedra, and  an edgeedge with one O(9)LiMnVCo tetrahedra. In the tenth O site, O(10) is bonded to one Li(4), two equivalent Mn(2), and one Co(2) atom to form distorted OLiMn2Co tetrahedra that share  a cornercorner with one O(2)LiVCo2 tetrahedra, corners with three equivalent O(5)LiMn2Co tetrahedra,  an edgeedge with one O(12)LiMn2V tetrahedra, and edges with two equivalent O(9)LiMnVCo tetrahedra. In the eleventh O site, O(11) is bonded in a distorted rectangular see-saw-like geometry to one Li(2), one V(2), one Mn(1), and one Co(1) atom. In the twelfth O site, O(12) is bonded to one Li(1), one V(2), and two equivalent Mn(2) atoms to form distorted OLiMn2V tetrahedra that share corners with two equivalent O(5)LiMn2Co tetrahedra, corners with two equivalent O(9)LiMnVCo tetrahedra,  an edgeedge with one O(10)LiMn2Co tetrahedra, and edges with two equivalent O(9)LiMnVCo tetrahedra.