Li4V3Cr3Mn2O16 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 V(2)O6 octahedra, corners with two equivalent Cr(1)O6 octahedra, corners with two equivalent Cr(2)O6 octahedra, corners with three equivalent Mn(2)O6 octahedra, and corners with four equivalent V(1)O6 octahedra. The corner-sharing octahedral tilt angles range from 50-62°. In the second Li site, Li(2) is bonded in a rectangular see-saw-like geometry to one O(5), one O(7), and two equivalent O(11) atoms. 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 Cr(2)O6 octahedra, corners with two equivalent V(1)O6 octahedra, corners with two equivalent V(2)O6 octahedra, corners with three equivalent Mn(1)O6 octahedra, and corners with four equivalent Cr(1)O6 octahedra. The corner-sharing octahedral tilt angles range from 55-63°. There are two inequivalent V sites. In the first V site, V(1) 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 VO6 octahedra that share corners with two equivalent Mn(1)O6 octahedra,  a cornercorner with one Li(4)O4 tetrahedra, corners with two equivalent Li(1)O4 tetrahedra,  an edgeedge with one Mn(2)O6 octahedra, edges with two equivalent V(1)O6 octahedra, and edges with two equivalent Cr(2)O6 octahedra. The corner-sharing octahedral tilt angles range from 51-53°. In the second V site, V(2) is bonded to one O(3), one O(4), two equivalent O(11), and two equivalent O(6) atoms to form VO6 octahedra that share corners with two equivalent Mn(2)O6 octahedra,  a cornercorner with one Li(1)O4 tetrahedra, corners with two equivalent Li(4)O4 tetrahedra,  an edgeedge with one Mn(1)O6 octahedra, and edges with four equivalent Cr(1)O6 octahedra. The corner-sharing octahedral tilt angles are 50°. There are two inequivalent Cr sites. In the first Cr site, Cr(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 CrO6 octahedra that share corners with two equivalent Mn(2)O6 octahedra,  a cornercorner with one Li(1)O4 tetrahedra, corners with two equivalent Li(4)O4 tetrahedra,  an edgeedge with one Mn(1)O6 octahedra, edges with two equivalent V(2)O6 octahedra, and edges with two equivalent Cr(1)O6 octahedra. The corner-sharing octahedral tilt angles range from 52-54°. In the second Cr site, Cr(2) is bonded to one O(10), one O(5), two equivalent O(1), and two equivalent O(9) atoms to form CrO6 octahedra that share corners with two equivalent Mn(1)O6 octahedra,  a cornercorner with one Li(4)O4 tetrahedra, corners with two equivalent Li(1)O4 tetrahedra,  an edgeedge with one Mn(2)O6 octahedra, and edges with four equivalent V(1)O6 octahedra. The corner-sharing octahedral tilt angles are 52°. There are two inequivalent Mn sites. In the first Mn site, Mn(1) is bonded to one O(2), one O(8), two equivalent O(1), and two equivalent O(6) atoms to form MnO6 octahedra that share corners with two equivalent Cr(2)O6 octahedra, corners with four equivalent V(1)O6 octahedra, corners with three equivalent Li(4)O4 tetrahedra,  an edgeedge with one V(2)O6 octahedra, and edges with two equivalent Cr(1)O6 octahedra. The corner-sharing octahedral tilt angles range from 51-53°. In the second Mn site, Mn(2) is bonded to one O(12), one O(7), two equivalent O(11), and two equivalent O(9) atoms to form MnO6 octahedra that share corners with two equivalent V(2)O6 octahedra, corners with four equivalent Cr(1)O6 octahedra, corners with three equivalent Li(1)O4 tetrahedra,  an edgeedge with one Cr(2)O6 octahedra, and edges with two equivalent V(1)O6 octahedra. The corner-sharing octahedral tilt angles range from 50-54°. 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 Cr(2), and one Mn(1) atom. In the second O site, O(2) is bonded to one Li(4), two equivalent Cr(1), and one Mn(1) atom to form distorted OLiMnCr2 tetrahedra that share corners with two equivalent O(6)LiMnVCr tetrahedra, corners with two equivalent O(4)LiVCr2 tetrahedra, and edges with two equivalent O(6)LiMnVCr tetrahedra. In the third O site, O(3) is bonded in a rectangular see-saw-like geometry to one Li(1), one V(2), and two equivalent Cr(1) atoms. In the fourth O site, O(4) is bonded to one Li(3), one V(2), and two equivalent Cr(1) atoms to form distorted OLiVCr2 tetrahedra that share corners with two equivalent O(2)LiMnCr2 tetrahedra and corners with four equivalent O(6)LiMnVCr tetrahedra. In the fifth O site, O(5) is bonded to one Li(2), two equivalent V(1), and one Cr(2) atom to form distorted OLiV2Cr tetrahedra that share corners with two equivalent O(12)LiMnV2 tetrahedra and corners with four equivalent O(9)LiMnVCr tetrahedra. In the sixth O site, O(6) is bonded to one Li(4), one V(2), one Cr(1), and one Mn(1) atom to form distorted OLiMnVCr tetrahedra that share  a cornercorner with one O(2)LiMnCr2 tetrahedra,  a cornercorner with one O(6)LiMnVCr tetrahedra, corners with two equivalent O(4)LiVCr2 tetrahedra,  an edgeedge with one O(2)LiMnCr2 tetrahedra, and  an edgeedge with one O(6)LiMnVCr tetrahedra. In the seventh O site, O(7) is bonded in a rectangular see-saw-like geometry to one Li(2), two equivalent Cr(1), and one Mn(2) atom. In the eighth O site, O(8) is bonded in a distorted rectangular see-saw-like geometry to one Li(3), two equivalent V(1), and one Mn(1) atom. In the ninth O site, O(9) is bonded to one Li(1), one V(1), one Cr(2), and one Mn(2) atom to form distorted OLiMnVCr tetrahedra that share  a cornercorner with one O(12)LiMnV2 tetrahedra,  a cornercorner with one O(9)LiMnVCr tetrahedra, corners with two equivalent O(5)LiV2Cr tetrahedra,  an edgeedge with one O(12)LiMnV2 tetrahedra, and  an edgeedge with one O(9)LiMnVCr tetrahedra. In the tenth O site, O(10) is bonded in a rectangular see-saw-like geometry to one Li(4), two equivalent V(1), and one Cr(2) atom. In the eleventh O site, O(11) is bonded in a rectangular see-saw-like geometry to one Li(2), one V(2), one Cr(1), and one Mn(2) atom. In the twelfth O site, O(12) is bonded to one Li(1), two equivalent V(1), and one Mn(2) atom to form distorted OLiMnV2 tetrahedra that share corners with two equivalent O(9)LiMnVCr tetrahedra, corners with two equivalent O(5)LiV2Cr tetrahedra, and edges with two equivalent O(9)LiMnVCr tetrahedra.
Li4V3Cr3Mn2O16 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 V(2)O6 octahedra, corners with two equivalent Cr(1)O6 octahedra, corners with two equivalent Cr(2)O6 octahedra, corners with three equivalent Mn(2)O6 octahedra, and corners with four equivalent V(1)O6 octahedra. The corner-sharing octahedral tilt angles range from 50-62°. The Li(1)-O(12) bond length is 1.99 Å. The Li(1)-O(3) bond length is 2.04 Å. Both Li(1)-O(9) bond lengths are 1.97 Å. In the second Li site, Li(2) is bonded in a rectangular see-saw-like geometry to one O(5), one O(7), and two equivalent O(11) atoms. The Li(2)-O(5) bond length is 1.79 Å. The Li(2)-O(7) bond length is 1.92 Å. Both Li(2)-O(11) bond lengths are 1.97 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 1.79 Å. The Li(3)-O(8) bond length is 1.92 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 Cr(2)O6 octahedra, corners with two equivalent V(1)O6 octahedra, corners with two equivalent V(2)O6 octahedra, corners with three equivalent Mn(1)O6 octahedra, and corners with four equivalent Cr(1)O6 octahedra. The corner-sharing octahedral tilt angles range from 55-63°. The Li(4)-O(10) bond length is 2.01 Å. The Li(4)-O(2) bond length is 1.90 Å. Both Li(4)-O(6) bond lengths are 2.02 Å. There are two inequivalent V sites. In the first V site, V(1) 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 VO6 octahedra that share corners with two equivalent Mn(1)O6 octahedra,  a cornercorner with one Li(4)O4 tetrahedra, corners with two equivalent Li(1)O4 tetrahedra,  an edgeedge with one Mn(2)O6 octahedra, edges with two equivalent V(1)O6 octahedra, and edges with two equivalent Cr(2)O6 octahedra. The corner-sharing octahedral tilt angles range from 51-53°. The V(1)-O(1) bond length is 1.97 Å. The V(1)-O(10) bond length is 1.99 Å. The V(1)-O(12) bond length is 2.06 Å. The V(1)-O(5) bond length is 1.96 Å. The V(1)-O(8) bond length is 1.97 Å. The V(1)-O(9) bond length is 1.88 Å. In the second V site, V(2) is bonded to one O(3), one O(4), two equivalent O(11), and two equivalent O(6) atoms to form VO6 octahedra that share corners with two equivalent Mn(2)O6 octahedra,  a cornercorner with one Li(1)O4 tetrahedra, corners with two equivalent Li(4)O4 tetrahedra,  an edgeedge with one Mn(1)O6 octahedra, and edges with four equivalent Cr(1)O6 octahedra. The corner-sharing octahedral tilt angles are 50°. The V(2)-O(3) bond length is 1.88 Å. The V(2)-O(4) bond length is 1.93 Å. Both V(2)-O(11) bond lengths are 1.88 Å. Both V(2)-O(6) bond lengths are 1.96 Å. There are two inequivalent Cr sites. In the first Cr site, Cr(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 CrO6 octahedra that share corners with two equivalent Mn(2)O6 octahedra,  a cornercorner with one Li(1)O4 tetrahedra, corners with two equivalent Li(4)O4 tetrahedra,  an edgeedge with one Mn(1)O6 octahedra, edges with two equivalent V(2)O6 octahedra, and edges with two equivalent Cr(1)O6 octahedra. The corner-sharing octahedral tilt angles range from 52-54°. The Cr(1)-O(11) bond length is 2.07 Å. The Cr(1)-O(2) bond length is 1.96 Å. The Cr(1)-O(3) bond length is 2.02 Å. The Cr(1)-O(4) bond length is 1.99 Å. The Cr(1)-O(6) bond length is 2.03 Å. The Cr(1)-O(7) bond length is 2.03 Å. In the second Cr site, Cr(2) is bonded to one O(10), one O(5), two equivalent O(1), and two equivalent O(9) atoms to form CrO6 octahedra that share corners with two equivalent Mn(1)O6 octahedra,  a cornercorner with one Li(4)O4 tetrahedra, corners with two equivalent Li(1)O4 tetrahedra,  an edgeedge with one Mn(2)O6 octahedra, and edges with four equivalent V(1)O6 octahedra. The corner-sharing octahedral tilt angles are 52°. The Cr(2)-O(10) bond length is 1.99 Å. The Cr(2)-O(5) bond length is 1.98 Å. Both Cr(2)-O(1) bond lengths are 2.06 Å. Both Cr(2)-O(9) bond lengths are 2.03 Å. There are two inequivalent Mn sites. In the first Mn site, Mn(1) is bonded to one O(2), one O(8), two equivalent O(1), and two equivalent O(6) atoms to form MnO6 octahedra that share corners with two equivalent Cr(2)O6 octahedra, corners with four equivalent V(1)O6 octahedra, corners with three equivalent Li(4)O4 tetrahedra,  an edgeedge with one V(2)O6 octahedra, and edges with two equivalent Cr(1)O6 octahedra. The corner-sharing octahedral tilt angles range from 51-53°. The Mn(1)-O(2) bond length is 2.18 Å. The Mn(1)-O(8) bond length is 2.20 Å. Both Mn(1)-O(1) bond lengths are 2.03 Å. Both Mn(1)-O(6) bond lengths are 2.06 Å. In the second Mn site, Mn(2) is bonded to one O(12), one O(7), two equivalent O(11), and two equivalent O(9) atoms to form MnO6 octahedra that share corners with two equivalent V(2)O6 octahedra, corners with four equivalent Cr(1)O6 octahedra, corners with three equivalent Li(1)O4 tetrahedra,  an edgeedge with one Cr(2)O6 octahedra, and edges with two equivalent V(1)O6 octahedra. The corner-sharing octahedral tilt angles range from 50-54°. The Mn(2)-O(12) bond length is 1.98 Å. The Mn(2)-O(7) bond length is 1.94 Å. Both Mn(2)-O(11) bond lengths are 2.15 Å. Both Mn(2)-O(9) bond lengths are 2.16 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 Cr(2), and one Mn(1) atom. In the second O site, O(2) is bonded to one Li(4), two equivalent Cr(1), and one Mn(1) atom to form distorted OLiMnCr2 tetrahedra that share corners with two equivalent O(6)LiMnVCr tetrahedra, corners with two equivalent O(4)LiVCr2 tetrahedra, and edges with two equivalent O(6)LiMnVCr tetrahedra. In the third O site, O(3) is bonded in a rectangular see-saw-like geometry to one Li(1), one V(2), and two equivalent Cr(1) atoms. In the fourth O site, O(4) is bonded to one Li(3), one V(2), and two equivalent Cr(1) atoms to form distorted OLiVCr2 tetrahedra that share corners with two equivalent O(2)LiMnCr2 tetrahedra and corners with four equivalent O(6)LiMnVCr tetrahedra. In the fifth O site, O(5) is bonded to one Li(2), two equivalent V(1), and one Cr(2) atom to form distorted OLiV2Cr tetrahedra that share corners with two equivalent O(12)LiMnV2 tetrahedra and corners with four equivalent O(9)LiMnVCr tetrahedra. In the sixth O site, O(6) is bonded to one Li(4), one V(2), one Cr(1), and one Mn(1) atom to form distorted OLiMnVCr tetrahedra that share  a cornercorner with one O(2)LiMnCr2 tetrahedra,  a cornercorner with one O(6)LiMnVCr tetrahedra, corners with two equivalent O(4)LiVCr2 tetrahedra,  an edgeedge with one O(2)LiMnCr2 tetrahedra, and  an edgeedge with one O(6)LiMnVCr tetrahedra. In the seventh O site, O(7) is bonded in a rectangular see-saw-like geometry to one Li(2), two equivalent Cr(1), and one Mn(2) atom. In the eighth O site, O(8) is bonded in a distorted rectangular see-saw-like geometry to one Li(3), two equivalent V(1), and one Mn(1) atom. In the ninth O site, O(9) is bonded to one Li(1), one V(1), one Cr(2), and one Mn(2) atom to form distorted OLiMnVCr tetrahedra that share  a cornercorner with one O(12)LiMnV2 tetrahedra,  a cornercorner with one O(9)LiMnVCr tetrahedra, corners with two equivalent O(5)LiV2Cr tetrahedra,  an edgeedge with one O(12)LiMnV2 tetrahedra, and  an edgeedge with one O(9)LiMnVCr tetrahedra. In the tenth O site, O(10) is bonded in a rectangular see-saw-like geometry to one Li(4), two equivalent V(1), and one Cr(2) atom. In the eleventh O site, O(11) is bonded in a rectangular see-saw-like geometry to one Li(2), one V(2), one Cr(1), and one Mn(2) atom. In the twelfth O site, O(12) is bonded to one Li(1), two equivalent V(1), and one Mn(2) atom to form distorted OLiMnV2 tetrahedra that share corners with two equivalent O(9)LiMnVCr tetrahedra, corners with two equivalent O(5)LiV2Cr tetrahedra, and edges with two equivalent O(9)LiMnVCr tetrahedra.