Li4Nb2Cr3Mn3O16 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 Cr(1)O6 octahedra, corners with two equivalent Cr(2)O6 octahedra, corners with three equivalent Nb(2)O6 octahedra, and corners with four equivalent Mn(2)O6 octahedra. The corner-sharing octahedral tilt angles range from 58-61°. In the second Li site, Li(2) is bonded to one O(5), one O(7), and two equivalent O(11) atoms to form distorted LiO4 tetrahedra that share  a cornercorner with one Cr(2)O6 octahedra, corners with two equivalent Mn(2)O6 octahedra, corners with three equivalent Nb(2)O6 octahedra,  an edgeedge with one Mn(1)O6 octahedra, and edges with two equivalent Cr(1)O6 octahedra. The corner-sharing octahedral tilt angles range from 57-66°. In the third Li site, Li(3) is bonded to one O(4), one O(8), and two equivalent O(1) atoms to form distorted LiO4 tetrahedra that share  a cornercorner with one Mn(1)O6 octahedra, corners with two equivalent Cr(1)O6 octahedra, corners with three equivalent Nb(1)O6 octahedra,  an edgeedge with one Cr(2)O6 octahedra, and edges with two equivalent Mn(2)O6 octahedra. The corner-sharing octahedral tilt angles range from 59-64°. 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 Mn(1)O6 octahedra, corners with two equivalent Mn(2)O6 octahedra, corners with three equivalent Nb(1)O6 octahedra, and corners with four equivalent Cr(1)O6 octahedra. The corner-sharing octahedral tilt angles range from 58-62°. There are two inequivalent Nb sites. In the first Nb site, Nb(1) is bonded to one O(2), one O(8), two equivalent O(1), and two equivalent O(6) atoms to form NbO6 octahedra that share corners with two equivalent Cr(2)O6 octahedra, corners with four equivalent Mn(2)O6 octahedra, corners with three equivalent Li(3)O4 tetrahedra, corners with three equivalent Li(4)O4 tetrahedra,  an edgeedge with one Mn(1)O6 octahedra, and edges with two equivalent Cr(1)O6 octahedra. The corner-sharing octahedral tilt angles range from 46-53°. In the second Nb site, Nb(2) is bonded to one O(12), one O(7), two equivalent O(11), and two equivalent O(9) atoms to form distorted NbO6 octahedra that share corners with two equivalent Mn(1)O6 octahedra, corners with four equivalent Cr(1)O6 octahedra, corners with three equivalent Li(1)O4 tetrahedra, corners with three equivalent Li(2)O4 tetrahedra,  an edgeedge with one Cr(2)O6 octahedra, and edges with two equivalent Mn(2)O6 octahedra. The corner-sharing octahedral tilt angles range from 47-57°. 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 Nb(2)O6 octahedra,  a cornercorner with one Li(1)O4 tetrahedra,  a cornercorner with one Li(3)O4 tetrahedra, corners with two equivalent Li(4)O4 tetrahedra,  an edgeedge with one Nb(1)O6 octahedra, edges with two equivalent Cr(1)O6 octahedra, edges with two equivalent Mn(1)O6 octahedra, and  an edgeedge with one Li(2)O4 tetrahedra. The corner-sharing octahedral tilt angles range from 47-50°. 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 Nb(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 Nb(2)O6 octahedra, edges with four equivalent Mn(2)O6 octahedra, and  an edgeedge with one Li(3)O4 tetrahedra. The corner-sharing octahedral tilt angles are 46°. 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 Nb(2)O6 octahedra,  a cornercorner with one Li(1)O4 tetrahedra,  a cornercorner with one Li(3)O4 tetrahedra, corners with two equivalent Li(4)O4 tetrahedra,  an edgeedge with one Nb(1)O6 octahedra, edges with four equivalent Cr(1)O6 octahedra, and  an edgeedge with one Li(2)O4 tetrahedra. The corner-sharing octahedral tilt angles are 57°. 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 Nb(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 Nb(2)O6 octahedra, edges with two equivalent Cr(2)O6 octahedra, edges with two equivalent Mn(2)O6 octahedra, and  an edgeedge with one Li(3)O4 tetrahedra. The corner-sharing octahedral tilt angles are 53°. 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 Nb(1), one Cr(2), and one Mn(2) atom. In the second O site, O(2) is bonded to one Li(4), one Nb(1), and two equivalent Cr(1) atoms to form distorted OLiNbCr2 tetrahedra that share  a cornercorner with one O(10)LiMn2Cr tetrahedra, corners with two equivalent O(4)LiMnCr2 tetrahedra, corners with two equivalent O(6)LiMnNbCr tetrahedra,  an edgeedge with one O(3)LiMnCr2 tetrahedra, and edges with two equivalent O(6)LiMnNbCr tetrahedra. In the third O site, O(3) is bonded to one Li(1), two equivalent Cr(1), and one Mn(1) atom to form distorted OLiMnCr2 tetrahedra that share  a cornercorner with one O(12)LiMn2Nb tetrahedra, corners with three equivalent O(4)LiMnCr2 tetrahedra,  an edgeedge with one O(2)LiNbCr2 tetrahedra, and edges with two equivalent O(6)LiMnNbCr tetrahedra. In the fourth O site, O(4) is bonded to one Li(3), two equivalent Cr(1), and one Mn(1) atom to form OLiMnCr2 tetrahedra that share corners with two equivalent O(2)LiNbCr2 tetrahedra, corners with three equivalent O(3)LiMnCr2 tetrahedra, and corners with four equivalent O(6)LiMnNbCr tetrahedra. In the fifth O site, O(5) is bonded to one Li(2), one Cr(2), and two equivalent Mn(2) atoms to form OLiMn2Cr tetrahedra that share corners with two equivalent O(12)LiMn2Nb tetrahedra and corners with three equivalent O(10)LiMn2Cr tetrahedra. In the sixth O site, O(6) is bonded to one Li(4), one Nb(1), one Cr(1), and one Mn(1) atom to form distorted OLiMnNbCr tetrahedra that share  a cornercorner with one O(10)LiMn2Cr tetrahedra,  a cornercorner with one O(6)LiMnNbCr tetrahedra,  a cornercorner with one O(2)LiNbCr2 tetrahedra, corners with two equivalent O(4)LiMnCr2 tetrahedra,  an edgeedge with one O(3)LiMnCr2 tetrahedra,  an edgeedge with one O(6)LiMnNbCr tetrahedra, and  an edgeedge with one O(2)LiNbCr2 tetrahedra. In the seventh O site, O(7) is bonded in a rectangular see-saw-like geometry to one Li(2), one Nb(2), and two equivalent Cr(1) atoms. In the eighth O site, O(8) is bonded in a rectangular see-saw-like geometry to one Li(3), one Nb(1), and two equivalent Mn(2) atoms. In the ninth O site, O(9) is bonded in a distorted rectangular see-saw-like geometry to one Li(1), one Nb(2), one Cr(2), and one Mn(2) atom. In the tenth O site, O(10) is bonded to one Li(4), one Cr(2), and two equivalent Mn(2) atoms to form distorted OLiMn2Cr tetrahedra that share  a cornercorner with one O(2)LiNbCr2 tetrahedra, corners with two equivalent O(6)LiMnNbCr tetrahedra, corners with three equivalent O(5)LiMn2Cr tetrahedra, and  an edgeedge with one O(12)LiMn2Nb tetrahedra. In the eleventh O site, O(11) is bonded in a rectangular see-saw-like geometry to one Li(2), one Nb(2), one Cr(1), and one Mn(1) atom. In the twelfth O site, O(12) is bonded to one Li(1), one Nb(2), and two equivalent Mn(2) atoms to form distorted OLiMn2Nb tetrahedra that share  a cornercorner with one O(3)LiMnCr2 tetrahedra, corners with two equivalent O(5)LiMn2Cr tetrahedra, and  an edgeedge with one O(10)LiMn2Cr tetrahedra.
Li4Nb2Cr3Mn3O16 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 Cr(1)O6 octahedra, corners with two equivalent Cr(2)O6 octahedra, corners with three equivalent Nb(2)O6 octahedra, and corners with four equivalent Mn(2)O6 octahedra. The corner-sharing octahedral tilt angles range from 58-61°. The Li(1)-O(12) bond length is 2.00 Å. The Li(1)-O(3) bond length is 2.03 Å. Both Li(1)-O(9) bond lengths are 2.00 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 distorted LiO4 tetrahedra that share  a cornercorner with one Cr(2)O6 octahedra, corners with two equivalent Mn(2)O6 octahedra, corners with three equivalent Nb(2)O6 octahedra,  an edgeedge with one Mn(1)O6 octahedra, and edges with two equivalent Cr(1)O6 octahedra. The corner-sharing octahedral tilt angles range from 57-66°. The Li(2)-O(5) bond length is 1.83 Å. The Li(2)-O(7) bond length is 2.01 Å. Both Li(2)-O(11) bond lengths are 1.98 Å. In the third Li site, Li(3) is bonded to one O(4), one O(8), and two equivalent O(1) atoms to form distorted LiO4 tetrahedra that share  a cornercorner with one Mn(1)O6 octahedra, corners with two equivalent Cr(1)O6 octahedra, corners with three equivalent Nb(1)O6 octahedra,  an edgeedge with one Cr(2)O6 octahedra, and edges with two equivalent Mn(2)O6 octahedra. The corner-sharing octahedral tilt angles range from 59-64°. The Li(3)-O(4) bond length is 1.81 Å. The Li(3)-O(8) bond length is 2.01 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 Mn(1)O6 octahedra, corners with two equivalent Mn(2)O6 octahedra, corners with three equivalent Nb(1)O6 octahedra, and corners with four equivalent Cr(1)O6 octahedra. The corner-sharing octahedral tilt angles range from 58-62°. The Li(4)-O(10) bond length is 2.09 Å. The Li(4)-O(2) bond length is 2.08 Å. Both Li(4)-O(6) bond lengths are 1.96 Å. There are two inequivalent Nb sites. In the first Nb site, Nb(1) is bonded to one O(2), one O(8), two equivalent O(1), and two equivalent O(6) atoms to form NbO6 octahedra that share corners with two equivalent Cr(2)O6 octahedra, corners with four equivalent Mn(2)O6 octahedra, corners with three equivalent Li(3)O4 tetrahedra, corners with three equivalent Li(4)O4 tetrahedra,  an edgeedge with one Mn(1)O6 octahedra, and edges with two equivalent Cr(1)O6 octahedra. The corner-sharing octahedral tilt angles range from 46-53°. The Nb(1)-O(2) bond length is 2.08 Å. The Nb(1)-O(8) bond length is 2.04 Å. Both Nb(1)-O(1) bond lengths are 1.95 Å. Both Nb(1)-O(6) bond lengths are 2.11 Å. In the second Nb site, Nb(2) is bonded to one O(12), one O(7), two equivalent O(11), and two equivalent O(9) atoms to form distorted NbO6 octahedra that share corners with two equivalent Mn(1)O6 octahedra, corners with four equivalent Cr(1)O6 octahedra, corners with three equivalent Li(1)O4 tetrahedra, corners with three equivalent Li(2)O4 tetrahedra,  an edgeedge with one Cr(2)O6 octahedra, and edges with two equivalent Mn(2)O6 octahedra. The corner-sharing octahedral tilt angles range from 47-57°. The Nb(2)-O(12) bond length is 2.28 Å. The Nb(2)-O(7) bond length is 1.98 Å. Both Nb(2)-O(11) bond lengths are 1.99 Å. Both Nb(2)-O(9) bond lengths are 2.03 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 Nb(2)O6 octahedra,  a cornercorner with one Li(1)O4 tetrahedra,  a cornercorner with one Li(3)O4 tetrahedra, corners with two equivalent Li(4)O4 tetrahedra,  an edgeedge with one Nb(1)O6 octahedra, edges with two equivalent Cr(1)O6 octahedra, edges with two equivalent Mn(1)O6 octahedra, and  an edgeedge with one Li(2)O4 tetrahedra. The corner-sharing octahedral tilt angles range from 47-50°. The Cr(1)-O(11) bond length is 2.08 Å. The Cr(1)-O(2) bond length is 2.02 Å. The Cr(1)-O(3) bond length is 1.99 Å. The Cr(1)-O(4) bond length is 1.99 Å. The Cr(1)-O(6) bond length is 2.01 Å. The Cr(1)-O(7) bond length is 2.08 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 Nb(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 Nb(2)O6 octahedra, edges with four equivalent Mn(2)O6 octahedra, and  an edgeedge with one Li(3)O4 tetrahedra. The corner-sharing octahedral tilt angles are 46°. The Cr(2)-O(10) bond length is 2.00 Å. The Cr(2)-O(5) bond length is 1.99 Å. Both Cr(2)-O(1) bond lengths are 2.06 Å. Both Cr(2)-O(9) bond lengths are 2.00 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 Nb(2)O6 octahedra,  a cornercorner with one Li(1)O4 tetrahedra,  a cornercorner with one Li(3)O4 tetrahedra, corners with two equivalent Li(4)O4 tetrahedra,  an edgeedge with one Nb(1)O6 octahedra, edges with four equivalent Cr(1)O6 octahedra, and  an edgeedge with one Li(2)O4 tetrahedra. The corner-sharing octahedral tilt angles are 57°. The Mn(1)-O(3) bond length is 1.91 Å. The Mn(1)-O(4) bond length is 1.92 Å. Both Mn(1)-O(11) bond lengths are 2.17 Å. Both Mn(1)-O(6) bond lengths are 2.11 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 Nb(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 Nb(2)O6 octahedra, edges with two equivalent Cr(2)O6 octahedra, edges with two equivalent Mn(2)O6 octahedra, and  an edgeedge with one Li(3)O4 tetrahedra. The corner-sharing octahedral tilt angles are 53°. The Mn(2)-O(1) bond length is 2.28 Å. The Mn(2)-O(10) bond length is 1.94 Å. The Mn(2)-O(12) bond length is 1.98 Å. The Mn(2)-O(5) bond length is 1.94 Å. The Mn(2)-O(8) bond length is 2.05 Å. The Mn(2)-O(9) bond length is 2.22 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 Nb(1), one Cr(2), and one Mn(2) atom. In the second O site, O(2) is bonded to one Li(4), one Nb(1), and two equivalent Cr(1) atoms to form distorted OLiNbCr2 tetrahedra that share  a cornercorner with one O(10)LiMn2Cr tetrahedra, corners with two equivalent O(4)LiMnCr2 tetrahedra, corners with two equivalent O(6)LiMnNbCr tetrahedra,  an edgeedge with one O(3)LiMnCr2 tetrahedra, and edges with two equivalent O(6)LiMnNbCr tetrahedra. In the third O site, O(3) is bonded to one Li(1), two equivalent Cr(1), and one Mn(1) atom to form distorted OLiMnCr2 tetrahedra that share  a cornercorner with one O(12)LiMn2Nb tetrahedra, corners with three equivalent O(4)LiMnCr2 tetrahedra,  an edgeedge with one O(2)LiNbCr2 tetrahedra, and edges with two equivalent O(6)LiMnNbCr tetrahedra. In the fourth O site, O(4) is bonded to one Li(3), two equivalent Cr(1), and one Mn(1) atom to form OLiMnCr2 tetrahedra that share corners with two equivalent O(2)LiNbCr2 tetrahedra, corners with three equivalent O(3)LiMnCr2 tetrahedra, and corners with four equivalent O(6)LiMnNbCr tetrahedra. In the fifth O site, O(5) is bonded to one Li(2), one Cr(2), and two equivalent Mn(2) atoms to form OLiMn2Cr tetrahedra that share corners with two equivalent O(12)LiMn2Nb tetrahedra and corners with three equivalent O(10)LiMn2Cr tetrahedra. In the sixth O site, O(6) is bonded to one Li(4), one Nb(1), one Cr(1), and one Mn(1) atom to form distorted OLiMnNbCr tetrahedra that share  a cornercorner with one O(10)LiMn2Cr tetrahedra,  a cornercorner with one O(6)LiMnNbCr tetrahedra,  a cornercorner with one O(2)LiNbCr2 tetrahedra, corners with two equivalent O(4)LiMnCr2 tetrahedra,  an edgeedge with one O(3)LiMnCr2 tetrahedra,  an edgeedge with one O(6)LiMnNbCr tetrahedra, and  an edgeedge with one O(2)LiNbCr2 tetrahedra. In the seventh O site, O(7) is bonded in a rectangular see-saw-like geometry to one Li(2), one Nb(2), and two equivalent Cr(1) atoms. In the eighth O site, O(8) is bonded in a rectangular see-saw-like geometry to one Li(3), one Nb(1), and two equivalent Mn(2) atoms. In the ninth O site, O(9) is bonded in a distorted rectangular see-saw-like geometry to one Li(1), one Nb(2), one Cr(2), and one Mn(2) atom. In the tenth O site, O(10) is bonded to one Li(4), one Cr(2), and two equivalent Mn(2) atoms to form distorted OLiMn2Cr tetrahedra that share  a cornercorner with one O(2)LiNbCr2 tetrahedra, corners with two equivalent O(6)LiMnNbCr tetrahedra, corners with three equivalent O(5)LiMn2Cr tetrahedra, and  an edgeedge with one O(12)LiMn2Nb tetrahedra. In the eleventh O site, O(11) is bonded in a rectangular see-saw-like geometry to one Li(2), one Nb(2), one Cr(1), and one Mn(1) atom. In the twelfth O site, O(12) is bonded to one Li(1), one Nb(2), and two equivalent Mn(2) atoms to form distorted OLiMn2Nb tetrahedra that share  a cornercorner with one O(3)LiMnCr2 tetrahedra, corners with two equivalent O(5)LiMn2Cr tetrahedra, and  an edgeedge with one O(10)LiMn2Cr tetrahedra.