Li10Cr2Mn3Ni3O16 crystallizes in the monoclinic Cm space group. There are eight inequivalent Li sites. In the first Li site, Li(1) is bonded in a 6-coordinate geometry to one O(11), one O(12), one O(3), one O(4), one O(7), and one O(8) atom. In the second Li site, Li(2) is bonded to one O(12), one O(9), two equivalent O(1), and two equivalent O(8) atoms to form distorted LiO6 octahedra that share corners with three equivalent Cr(1)O6 octahedra, corners with three equivalent Li(8)O4 tetrahedra, edges with two equivalent Mn(2)O6 octahedra, edges with four equivalent Ni(2)O6 octahedra, and  a faceface with one Cr(2)O6 octahedra. The corner-sharing octahedral tilt angles range from 5-8°. In the third Li site, Li(3) is bonded in a 5-coordinate geometry to one O(4), two equivalent O(11), and two equivalent O(8) atoms. In the fourth Li site, Li(4) is bonded to one O(3), one O(7), and two equivalent O(11) atoms to form LiO4 tetrahedra that share  a cornercorner with one Mn(2)O6 octahedra, corners with two equivalent Ni(2)O6 octahedra, corners with three equivalent Li(6)O6 octahedra, corners with three equivalent Cr(1)O6 octahedra,  an edgeedge with one Ni(1)O6 octahedra, and edges with two equivalent Mn(1)O6 octahedra. The corner-sharing octahedral tilt angles range from 14-63°. In the fifth Li site, Li(5) is bonded in a 6-coordinate geometry to one O(10), one O(5), two equivalent O(1), and two equivalent O(6) atoms. In the sixth Li site, Li(6) is bonded to one O(2), one O(7), two equivalent O(11), and two equivalent O(6) atoms to form LiO6 octahedra that share corners with three equivalent Cr(2)O6 octahedra, corners with three equivalent Li(4)O4 tetrahedra, edges with two equivalent Ni(1)O6 octahedra, edges with four equivalent Mn(1)O6 octahedra, and  a faceface with one Cr(1)O6 octahedra. The corner-sharing octahedral tilt angles range from 2-9°. In the seventh Li site, Li(7) is bonded in a 4-coordinate geometry to one O(1), one O(10), one O(2), one O(5), one O(6), and one O(9) atom. In the eighth Li site, Li(8) is bonded to one O(5), one O(9), and two equivalent O(1) atoms to form LiO4 tetrahedra that share  a cornercorner with one Ni(1)O6 octahedra, corners with two equivalent Mn(1)O6 octahedra, corners with three equivalent Li(2)O6 octahedra, corners with three equivalent Cr(2)O6 octahedra,  an edgeedge with one Mn(2)O6 octahedra, and edges with two equivalent Ni(2)O6 octahedra. The corner-sharing octahedral tilt angles range from 15-63°. There are two inequivalent Cr sites. In the first Cr site, Cr(1) is bonded to one O(12), one O(7), two equivalent O(11), and two equivalent O(8) atoms to form CrO6 octahedra that share corners with two equivalent Ni(1)O6 octahedra, corners with three equivalent Li(2)O6 octahedra, corners with four equivalent Mn(1)O6 octahedra, corners with three equivalent Li(4)O4 tetrahedra,  an edgeedge with one Mn(2)O6 octahedra, edges with two equivalent Ni(2)O6 octahedra, and  a faceface with one Li(6)O6 octahedra. The corner-sharing octahedral tilt angles range from 5-50°. In the second Cr site, Cr(2) is bonded to one O(2), one O(9), two equivalent O(1), and two equivalent O(6) atoms to form CrO6 octahedra that share corners with two equivalent Mn(2)O6 octahedra, corners with three equivalent Li(6)O6 octahedra, corners with four equivalent Ni(2)O6 octahedra, corners with three equivalent Li(8)O4 tetrahedra,  an edgeedge with one Ni(1)O6 octahedra, edges with two equivalent Mn(1)O6 octahedra, and  a faceface with one Li(2)O6 octahedra. The corner-sharing octahedral tilt angles range from 2-53°. There are two inequivalent Mn sites. In the first Mn site, Mn(1) is bonded to one O(11), one O(2), one O(4), one O(5), one O(6), and one O(7) atom to form MnO6 octahedra that share corners with two equivalent Cr(1)O6 octahedra,  a cornercorner with one Li(8)O4 tetrahedra,  an edgeedge with one Cr(2)O6 octahedra, edges with two equivalent Li(6)O6 octahedra, edges with two equivalent Mn(1)O6 octahedra, edges with two equivalent Ni(1)O6 octahedra, and  an edgeedge with one Li(4)O4 tetrahedra. The corner-sharing octahedral tilt angles range from 48-50°. In the second Mn site, Mn(2) is bonded to one O(10), one O(3), two equivalent O(1), and two equivalent O(8) atoms to form MnO6 octahedra that share corners with two equivalent Cr(2)O6 octahedra,  a cornercorner with one Li(4)O4 tetrahedra,  an edgeedge with one Cr(1)O6 octahedra, edges with two equivalent Li(2)O6 octahedra, edges with four equivalent Ni(2)O6 octahedra, and  an edgeedge with one Li(8)O4 tetrahedra. The corner-sharing octahedral tilt angles are 46°. There are two inequivalent Ni sites. In the first Ni site, Ni(1) is bonded to one O(4), one O(5), two equivalent O(11), and two equivalent O(6) atoms to form NiO6 octahedra that share corners with two equivalent Cr(1)O6 octahedra,  a cornercorner with one Li(8)O4 tetrahedra,  an edgeedge with one Cr(2)O6 octahedra, edges with two equivalent Li(6)O6 octahedra, edges with four equivalent Mn(1)O6 octahedra, and  an edgeedge with one Li(4)O4 tetrahedra. The corner-sharing octahedral tilt angles are 49°. In the second Ni site, Ni(2) is bonded to one O(1), one O(10), one O(12), one O(3), one O(8), and one O(9) atom to form NiO6 octahedra that share corners with two equivalent Cr(2)O6 octahedra,  a cornercorner with one Li(4)O4 tetrahedra,  an edgeedge with one Cr(1)O6 octahedra, edges with two equivalent Li(2)O6 octahedra, edges with two equivalent Mn(2)O6 octahedra, edges with two equivalent Ni(2)O6 octahedra, and  an edgeedge with one Li(8)O4 tetrahedra. The corner-sharing octahedral tilt angles range from 50-53°. There are twelve inequivalent O sites. In the first O site, O(1) is bonded in a 7-coordinate geometry to one Li(2), one Li(5), one Li(7), one Li(8), one Cr(2), one Mn(2), and one Ni(2) atom. In the second O site, O(2) is bonded to one Li(6), two equivalent Li(7), one Cr(2), and two equivalent Mn(1) atoms to form OLi3Mn2Cr octahedra that share edges with four equivalent O(6)Li3MnCrNi octahedra,  an edgeedge with one O(4)Li3Mn2Ni pentagonal pyramid, and  an edgeedge with one O(10)Li3MnNi2 pentagonal pyramid. In the third O site, O(3) is bonded in a 6-coordinate geometry to one Li(4), two equivalent Li(1), one Mn(2), and two equivalent Ni(2) atoms. In the fourth O site, O(4) is bonded to one Li(3), two equivalent Li(1), two equivalent Mn(1), and one Ni(1) atom to form distorted OLi3Mn2Ni pentagonal pyramids that share  an edgeedge with one O(12)Li3CrNi2 octahedra,  an edgeedge with one O(2)Li3Mn2Cr octahedra, edges with two equivalent O(6)Li3MnCrNi octahedra, and edges with two equivalent O(8)Li3MnCrNi octahedra. In the fifth O site, O(5) is bonded in a 7-coordinate geometry to one Li(5), one Li(8), two equivalent Li(7), two equivalent Mn(1), and one Ni(1) atom. In the sixth O site, O(6) is bonded to one Li(5), one Li(6), one Li(7), one Cr(2), one Mn(1), and one Ni(1) atom to form OLi3MnCrNi octahedra that share edges with two equivalent O(2)Li3Mn2Cr octahedra, edges with two equivalent O(6)Li3MnCrNi octahedra,  an edgeedge with one O(4)Li3Mn2Ni pentagonal pyramid, and  an edgeedge with one O(10)Li3MnNi2 pentagonal pyramid. In the seventh O site, O(7) is bonded in a 7-coordinate geometry to one Li(4), one Li(6), two equivalent Li(1), one Cr(1), and two equivalent Mn(1) atoms. In the eighth O site, O(8) is bonded to one Li(1), one Li(2), one Li(3), one Cr(1), one Mn(2), and one Ni(2) atom to form OLi3MnCrNi octahedra that share edges with two equivalent O(12)Li3CrNi2 octahedra, edges with two equivalent O(8)Li3MnCrNi octahedra,  an edgeedge with one O(4)Li3Mn2Ni pentagonal pyramid, and  an edgeedge with one O(10)Li3MnNi2 pentagonal pyramid. In the ninth O site, O(9) is bonded in a 7-coordinate geometry to one Li(2), one Li(8), two equivalent Li(7), one Cr(2), and two equivalent Ni(2) atoms. In the tenth O site, O(10) is bonded to one Li(5), two equivalent Li(7), one Mn(2), and two equivalent Ni(2) atoms to form distorted OLi3MnNi2 pentagonal pyramids that share  an edgeedge with one O(12)Li3CrNi2 octahedra,  an edgeedge with one O(2)Li3Mn2Cr octahedra, edges with two equivalent O(6)Li3MnCrNi octahedra, and edges with two equivalent O(8)Li3MnCrNi octahedra. In the eleventh O site, O(11) is bonded in a 7-coordinate geometry to one Li(1), one Li(3), one Li(4), one Li(6), one Cr(1), one Mn(1), and one Ni(1) atom. In the twelfth O site, O(12) is bonded to one Li(2), two equivalent Li(1), one Cr(1), and two equivalent Ni(2) atoms to form OLi3CrNi2 octahedra that share edges with four equivalent O(8)Li3MnCrNi octahedra,  an edgeedge with one O(4)Li3Mn2Ni pentagonal pyramid, and  an edgeedge with one O(10)Li3MnNi2 pentagonal pyramid.
Li10Cr2Mn3Ni3O16 crystallizes in the monoclinic Cm space group. There are eight inequivalent Li sites. In the first Li site, Li(1) is bonded in a 6-coordinate geometry to one O(11), one O(12), one O(3), one O(4), one O(7), and one O(8) atom. The Li(1)-O(11) bond length is 2.37 Å. The Li(1)-O(12) bond length is 1.90 Å. The Li(1)-O(3) bond length is 2.16 Å. The Li(1)-O(4) bond length is 2.17 Å. The Li(1)-O(7) bond length is 2.33 Å. The Li(1)-O(8) bond length is 1.97 Å. In the second Li site, Li(2) is bonded to one O(12), one O(9), two equivalent O(1), and two equivalent O(8) atoms to form distorted LiO6 octahedra that share corners with three equivalent Cr(1)O6 octahedra, corners with three equivalent Li(8)O4 tetrahedra, edges with two equivalent Mn(2)O6 octahedra, edges with four equivalent Ni(2)O6 octahedra, and  a faceface with one Cr(2)O6 octahedra. The corner-sharing octahedral tilt angles range from 5-8°. The Li(2)-O(12) bond length is 2.09 Å. The Li(2)-O(9) bond length is 2.37 Å. Both Li(2)-O(1) bond lengths are 2.10 Å. Both Li(2)-O(8) bond lengths are 2.14 Å. In the third Li site, Li(3) is bonded in a 5-coordinate geometry to one O(4), two equivalent O(11), and two equivalent O(8) atoms. The Li(3)-O(4) bond length is 2.06 Å. Both Li(3)-O(11) bond lengths are 2.36 Å. Both Li(3)-O(8) bond lengths are 2.00 Å. In the fourth Li site, Li(4) is bonded to one O(3), one O(7), and two equivalent O(11) atoms to form LiO4 tetrahedra that share  a cornercorner with one Mn(2)O6 octahedra, corners with two equivalent Ni(2)O6 octahedra, corners with three equivalent Li(6)O6 octahedra, corners with three equivalent Cr(1)O6 octahedra,  an edgeedge with one Ni(1)O6 octahedra, and edges with two equivalent Mn(1)O6 octahedra. The corner-sharing octahedral tilt angles range from 14-63°. The Li(4)-O(3) bond length is 1.88 Å. The Li(4)-O(7) bond length is 1.90 Å. Both Li(4)-O(11) bond lengths are 1.87 Å. In the fifth Li site, Li(5) is bonded in a 6-coordinate geometry to one O(10), one O(5), two equivalent O(1), and two equivalent O(6) atoms. The Li(5)-O(10) bond length is 2.02 Å. The Li(5)-O(5) bond length is 2.27 Å. Both Li(5)-O(1) bond lengths are 2.31 Å. Both Li(5)-O(6) bond lengths are 1.94 Å. In the sixth Li site, Li(6) is bonded to one O(2), one O(7), two equivalent O(11), and two equivalent O(6) atoms to form LiO6 octahedra that share corners with three equivalent Cr(2)O6 octahedra, corners with three equivalent Li(4)O4 tetrahedra, edges with two equivalent Ni(1)O6 octahedra, edges with four equivalent Mn(1)O6 octahedra, and  a faceface with one Cr(1)O6 octahedra. The corner-sharing octahedral tilt angles range from 2-9°. The Li(6)-O(2) bond length is 2.17 Å. The Li(6)-O(7) bond length is 2.17 Å. Both Li(6)-O(11) bond lengths are 2.20 Å. Both Li(6)-O(6) bond lengths are 2.14 Å. In the seventh Li site, Li(7) is bonded in a 4-coordinate geometry to one O(1), one O(10), one O(2), one O(5), one O(6), and one O(9) atom. The Li(7)-O(1) bond length is 2.52 Å. The Li(7)-O(10) bond length is 2.01 Å. The Li(7)-O(2) bond length is 1.96 Å. The Li(7)-O(5) bond length is 2.50 Å. The Li(7)-O(6) bond length is 1.96 Å. The Li(7)-O(9) bond length is 2.18 Å. In the eighth Li site, Li(8) is bonded to one O(5), one O(9), and two equivalent O(1) atoms to form LiO4 tetrahedra that share  a cornercorner with one Ni(1)O6 octahedra, corners with two equivalent Mn(1)O6 octahedra, corners with three equivalent Li(2)O6 octahedra, corners with three equivalent Cr(2)O6 octahedra,  an edgeedge with one Mn(2)O6 octahedra, and edges with two equivalent Ni(2)O6 octahedra. The corner-sharing octahedral tilt angles range from 15-63°. The Li(8)-O(5) bond length is 1.92 Å. The Li(8)-O(9) bond length is 1.83 Å. Both Li(8)-O(1) bond lengths are 1.88 Å. There are two inequivalent Cr sites. In the first Cr site, Cr(1) is bonded to one O(12), one O(7), two equivalent O(11), and two equivalent O(8) atoms to form CrO6 octahedra that share corners with two equivalent Ni(1)O6 octahedra, corners with three equivalent Li(2)O6 octahedra, corners with four equivalent Mn(1)O6 octahedra, corners with three equivalent Li(4)O4 tetrahedra,  an edgeedge with one Mn(2)O6 octahedra, edges with two equivalent Ni(2)O6 octahedra, and  a faceface with one Li(6)O6 octahedra. The corner-sharing octahedral tilt angles range from 5-50°. The Cr(1)-O(12) bond length is 2.04 Å. The Cr(1)-O(7) bond length is 2.06 Å. Both Cr(1)-O(11) bond lengths are 2.07 Å. Both Cr(1)-O(8) bond lengths are 2.07 Å. In the second Cr site, Cr(2) is bonded to one O(2), one O(9), two equivalent O(1), and two equivalent O(6) atoms to form CrO6 octahedra that share corners with two equivalent Mn(2)O6 octahedra, corners with three equivalent Li(6)O6 octahedra, corners with four equivalent Ni(2)O6 octahedra, corners with three equivalent Li(8)O4 tetrahedra,  an edgeedge with one Ni(1)O6 octahedra, edges with two equivalent Mn(1)O6 octahedra, and  a faceface with one Li(2)O6 octahedra. The corner-sharing octahedral tilt angles range from 2-53°. The Cr(2)-O(2) bond length is 2.06 Å. The Cr(2)-O(9) bond length is 2.02 Å. Both Cr(2)-O(1) bond lengths are 2.12 Å. Both Cr(2)-O(6) bond lengths are 2.04 Å. There are two inequivalent Mn sites. In the first Mn site, Mn(1) is bonded to one O(11), one O(2), one O(4), one O(5), one O(6), and one O(7) atom to form MnO6 octahedra that share corners with two equivalent Cr(1)O6 octahedra,  a cornercorner with one Li(8)O4 tetrahedra,  an edgeedge with one Cr(2)O6 octahedra, edges with two equivalent Li(6)O6 octahedra, edges with two equivalent Mn(1)O6 octahedra, edges with two equivalent Ni(1)O6 octahedra, and  an edgeedge with one Li(4)O4 tetrahedra. The corner-sharing octahedral tilt angles range from 48-50°. The Mn(1)-O(11) bond length is 2.08 Å. The Mn(1)-O(2) bond length is 2.17 Å. The Mn(1)-O(4) bond length is 1.98 Å. The Mn(1)-O(5) bond length is 1.97 Å. The Mn(1)-O(6) bond length is 2.03 Å. The Mn(1)-O(7) bond length is 2.19 Å. In the second Mn site, Mn(2) is bonded to one O(10), one O(3), two equivalent O(1), and two equivalent O(8) atoms to form MnO6 octahedra that share corners with two equivalent Cr(2)O6 octahedra,  a cornercorner with one Li(4)O4 tetrahedra,  an edgeedge with one Cr(1)O6 octahedra, edges with two equivalent Li(2)O6 octahedra, edges with four equivalent Ni(2)O6 octahedra, and  an edgeedge with one Li(8)O4 tetrahedra. The corner-sharing octahedral tilt angles are 46°. The Mn(2)-O(10) bond length is 1.94 Å. The Mn(2)-O(3) bond length is 1.97 Å. Both Mn(2)-O(1) bond lengths are 2.01 Å. Both Mn(2)-O(8) bond lengths are 1.99 Å. There are two inequivalent Ni sites. In the first Ni site, Ni(1) is bonded to one O(4), one O(5), two equivalent O(11), and two equivalent O(6) atoms to form NiO6 octahedra that share corners with two equivalent Cr(1)O6 octahedra,  a cornercorner with one Li(8)O4 tetrahedra,  an edgeedge with one Cr(2)O6 octahedra, edges with two equivalent Li(6)O6 octahedra, edges with four equivalent Mn(1)O6 octahedra, and  an edgeedge with one Li(4)O4 tetrahedra. The corner-sharing octahedral tilt angles are 49°. The Ni(1)-O(4) bond length is 2.11 Å. The Ni(1)-O(5) bond length is 2.11 Å. Both Ni(1)-O(11) bond lengths are 2.13 Å. Both Ni(1)-O(6) bond lengths are 2.08 Å. In the second Ni site, Ni(2) is bonded to one O(1), one O(10), one O(12), one O(3), one O(8), and one O(9) atom to form NiO6 octahedra that share corners with two equivalent Cr(2)O6 octahedra,  a cornercorner with one Li(4)O4 tetrahedra,  an edgeedge with one Cr(1)O6 octahedra, edges with two equivalent Li(2)O6 octahedra, edges with two equivalent Mn(2)O6 octahedra, edges with two equivalent Ni(2)O6 octahedra, and  an edgeedge with one Li(8)O4 tetrahedra. The corner-sharing octahedral tilt angles range from 50-53°. The Ni(2)-O(1) bond length is 2.17 Å. The Ni(2)-O(10) bond length is 2.08 Å. The Ni(2)-O(12) bond length is 2.07 Å. The Ni(2)-O(3) bond length is 2.08 Å. The Ni(2)-O(8) bond length is 2.11 Å. The Ni(2)-O(9) bond length is 2.14 Å. There are twelve inequivalent O sites. In the first O site, O(1) is bonded in a 7-coordinate geometry to one Li(2), one Li(5), one Li(7), one Li(8), one Cr(2), one Mn(2), and one Ni(2) atom. In the second O site, O(2) is bonded to one Li(6), two equivalent Li(7), one Cr(2), and two equivalent Mn(1) atoms to form OLi3Mn2Cr octahedra that share edges with four equivalent O(6)Li3MnCrNi octahedra,  an edgeedge with one O(4)Li3Mn2Ni pentagonal pyramid, and  an edgeedge with one O(10)Li3MnNi2 pentagonal pyramid. In the third O site, O(3) is bonded in a 6-coordinate geometry to one Li(4), two equivalent Li(1), one Mn(2), and two equivalent Ni(2) atoms. In the fourth O site, O(4) is bonded to one Li(3), two equivalent Li(1), two equivalent Mn(1), and one Ni(1) atom to form distorted OLi3Mn2Ni pentagonal pyramids that share  an edgeedge with one O(12)Li3CrNi2 octahedra,  an edgeedge with one O(2)Li3Mn2Cr octahedra, edges with two equivalent O(6)Li3MnCrNi octahedra, and edges with two equivalent O(8)Li3MnCrNi octahedra. In the fifth O site, O(5) is bonded in a 7-coordinate geometry to one Li(5), one Li(8), two equivalent Li(7), two equivalent Mn(1), and one Ni(1) atom. In the sixth O site, O(6) is bonded to one Li(5), one Li(6), one Li(7), one Cr(2), one Mn(1), and one Ni(1) atom to form OLi3MnCrNi octahedra that share edges with two equivalent O(2)Li3Mn2Cr octahedra, edges with two equivalent O(6)Li3MnCrNi octahedra,  an edgeedge with one O(4)Li3Mn2Ni pentagonal pyramid, and  an edgeedge with one O(10)Li3MnNi2 pentagonal pyramid. In the seventh O site, O(7) is bonded in a 7-coordinate geometry to one Li(4), one Li(6), two equivalent Li(1), one Cr(1), and two equivalent Mn(1) atoms. In the eighth O site, O(8) is bonded to one Li(1), one Li(2), one Li(3), one Cr(1), one Mn(2), and one Ni(2) atom to form OLi3MnCrNi octahedra that share edges with two equivalent O(12)Li3CrNi2 octahedra, edges with two equivalent O(8)Li3MnCrNi octahedra,  an edgeedge with one O(4)Li3Mn2Ni pentagonal pyramid, and  an edgeedge with one O(10)Li3MnNi2 pentagonal pyramid. In the ninth O site, O(9) is bonded in a 7-coordinate geometry to one Li(2), one Li(8), two equivalent Li(7), one Cr(2), and two equivalent Ni(2) atoms. In the tenth O site, O(10) is bonded to one Li(5), two equivalent Li(7), one Mn(2), and two equivalent Ni(2) atoms to form distorted OLi3MnNi2 pentagonal pyramids that share  an edgeedge with one O(12)Li3CrNi2 octahedra,  an edgeedge with one O(2)Li3Mn2Cr octahedra, edges with two equivalent O(6)Li3MnCrNi octahedra, and edges with two equivalent O(8)Li3MnCrNi octahedra. In the eleventh O site, O(11) is bonded in a 7-coordinate geometry to one Li(1), one Li(3), one Li(4), one Li(6), one Cr(1), one Mn(1), and one Ni(1) atom. In the twelfth O site, O(12) is bonded to one Li(2), two equivalent Li(1), one Cr(1), and two equivalent Ni(2) atoms to form OLi3CrNi2 octahedra that share edges with four equivalent O(8)Li3MnCrNi octahedra,  an edgeedge with one O(4)Li3Mn2Ni pentagonal pyramid, and  an edgeedge with one O(10)Li3MnNi2 pentagonal pyramid.