LiCr2O4 is Spinel-like structured and crystallizes in the monoclinic Cc space group. There are two inequivalent Li sites. In the first Li site, Li(1) is bonded to one O(2), one O(3), one O(6), and one O(7) atom to form LiO4 tetrahedra that share corners with three equivalent Cr(1)O6 octahedra, corners with three equivalent Cr(2)O6 octahedra, corners with three equivalent Cr(3)O6 octahedra, and corners with three equivalent Cr(4)O6 octahedra. The corner-sharing octahedral tilt angles range from 58-62°. In the second Li site, Li(2) is bonded to one O(1), one O(4), one O(5), and one O(8) atom to form distorted LiO4 trigonal pyramids that share  a cornercorner with one Cr(1)O6 octahedra,  a cornercorner with one Cr(3)O6 octahedra,  a cornercorner with one Cr(4)O6 octahedra, corners with three equivalent Cr(2)O6 octahedra,  an edgeedge with one Cr(1)O6 octahedra,  an edgeedge with one Cr(3)O6 octahedra, and  an edgeedge with one Cr(4)O6 octahedra. The corner-sharing octahedral tilt angles range from 60-66°. There are four inequivalent Cr sites. In the first Cr site, Cr(1) is bonded to one O(1), one O(2), one O(3), one O(4), one O(6), and one O(8) atom to form CrO6 octahedra that share corners with two equivalent Cr(2)O6 octahedra, corners with three equivalent Li(1)O4 tetrahedra,  a cornercorner with one Li(2)O4 trigonal pyramid,  an edgeedge with one Cr(2)O6 octahedra, edges with two equivalent Cr(3)O6 octahedra, edges with two equivalent Cr(4)O6 octahedra, and  an edgeedge with one Li(2)O4 trigonal pyramid. The corner-sharing octahedral tilt angles range from 49-51°. In the second Cr site, Cr(2) is bonded to one O(1), one O(2), one O(5), one O(6), one O(7), and one O(8) atom to form CrO6 octahedra that share corners with two equivalent Cr(1)O6 octahedra, corners with two equivalent Cr(3)O6 octahedra, corners with two equivalent Cr(4)O6 octahedra, corners with three equivalent Li(1)O4 tetrahedra, corners with three equivalent Li(2)O4 trigonal pyramids,  an edgeedge with one Cr(1)O6 octahedra,  an edgeedge with one Cr(3)O6 octahedra, and  an edgeedge with one Cr(4)O6 octahedra. The corner-sharing octahedral tilt angles range from 49-53°. In the third Cr site, Cr(3) is bonded to one O(2), one O(3), one O(4), one O(5), one O(7), and one O(8) atom to form CrO6 octahedra that share corners with two equivalent Cr(2)O6 octahedra, corners with three equivalent Li(1)O4 tetrahedra,  a cornercorner with one Li(2)O4 trigonal pyramid,  an edgeedge with one Cr(2)O6 octahedra, edges with two equivalent Cr(1)O6 octahedra, edges with two equivalent Cr(4)O6 octahedra, and  an edgeedge with one Li(2)O4 trigonal pyramid. The corner-sharing octahedral tilt angles are 53°. In the fourth Cr site, Cr(4) is bonded to one O(1), one O(3), one O(4), one O(5), one O(6), and one O(7) atom to form CrO6 octahedra that share corners with two equivalent Cr(2)O6 octahedra, corners with three equivalent Li(1)O4 tetrahedra,  a cornercorner with one Li(2)O4 trigonal pyramid,  an edgeedge with one Cr(2)O6 octahedra, edges with two equivalent Cr(1)O6 octahedra, edges with two equivalent Cr(3)O6 octahedra, and  an edgeedge with one Li(2)O4 trigonal pyramid. The corner-sharing octahedral tilt angles range from 49-50°. There are eight inequivalent O sites. In the first O site, O(8) is bonded in a distorted rectangular see-saw-like geometry to one Li(2), one Cr(1), one Cr(2), and one Cr(3) atom. In the second O site, O(1) is bonded in a distorted rectangular see-saw-like geometry to one Li(2), one Cr(1), one Cr(2), and one Cr(4) atom. In the third O site, O(2) is bonded to one Li(1), one Cr(1), one Cr(2), and one Cr(3) atom to form a mixture of distorted corner and edge-sharing OLiCr3 tetrahedra. In the fourth O site, O(3) is bonded to one Li(1), one Cr(1), one Cr(3), and one Cr(4) atom to form a mixture of distorted corner and edge-sharing OLiCr3 trigonal pyramids. In the fifth O site, O(4) is bonded to one Li(2), one Cr(1), one Cr(3), and one Cr(4) atom to form distorted corner-sharing OLiCr3 tetrahedra. In the sixth O site, O(5) is bonded in a rectangular see-saw-like geometry to one Li(2), one Cr(2), one Cr(3), and one Cr(4) atom. In the seventh O site, O(6) is bonded to one Li(1), one Cr(1), one Cr(2), and one Cr(4) atom to form a mixture of distorted corner and edge-sharing OLiCr3 tetrahedra. In the eighth O site, O(7) is bonded to one Li(1), one Cr(2), one Cr(3), and one Cr(4) atom to form a mixture of distorted corner and edge-sharing OLiCr3 tetrahedra.
LiCr2O4 is Spinel-like structured and crystallizes in the monoclinic Cc space group. There are two inequivalent Li sites. In the first Li site, Li(1) is bonded to one O(2), one O(3), one O(6), and one O(7) atom to form LiO4 tetrahedra that share corners with three equivalent Cr(1)O6 octahedra, corners with three equivalent Cr(2)O6 octahedra, corners with three equivalent Cr(3)O6 octahedra, and corners with three equivalent Cr(4)O6 octahedra. The corner-sharing octahedral tilt angles range from 58-62°. The Li(1)-O(2) bond length is 1.98 Å. The Li(1)-O(3) bond length is 1.97 Å. The Li(1)-O(6) bond length is 2.01 Å. The Li(1)-O(7) bond length is 1.97 Å. In the second Li site, Li(2) is bonded to one O(1), one O(4), one O(5), and one O(8) atom to form distorted LiO4 trigonal pyramids that share  a cornercorner with one Cr(1)O6 octahedra,  a cornercorner with one Cr(3)O6 octahedra,  a cornercorner with one Cr(4)O6 octahedra, corners with three equivalent Cr(2)O6 octahedra,  an edgeedge with one Cr(1)O6 octahedra,  an edgeedge with one Cr(3)O6 octahedra, and  an edgeedge with one Cr(4)O6 octahedra. The corner-sharing octahedral tilt angles range from 60-66°. The Li(2)-O(1) bond length is 1.97 Å. The Li(2)-O(4) bond length is 1.76 Å. The Li(2)-O(5) bond length is 1.98 Å. The Li(2)-O(8) bond length is 1.96 Å. There are four inequivalent Cr sites. In the first Cr site, Cr(1) is bonded to one O(1), one O(2), one O(3), one O(4), one O(6), and one O(8) atom to form CrO6 octahedra that share corners with two equivalent Cr(2)O6 octahedra, corners with three equivalent Li(1)O4 tetrahedra,  a cornercorner with one Li(2)O4 trigonal pyramid,  an edgeedge with one Cr(2)O6 octahedra, edges with two equivalent Cr(3)O6 octahedra, edges with two equivalent Cr(4)O6 octahedra, and  an edgeedge with one Li(2)O4 trigonal pyramid. The corner-sharing octahedral tilt angles range from 49-51°. The Cr(1)-O(1) bond length is 1.96 Å. The Cr(1)-O(2) bond length is 1.97 Å. The Cr(1)-O(3) bond length is 1.97 Å. The Cr(1)-O(4) bond length is 1.96 Å. The Cr(1)-O(6) bond length is 1.99 Å. The Cr(1)-O(8) bond length is 1.91 Å. In the second Cr site, Cr(2) is bonded to one O(1), one O(2), one O(5), one O(6), one O(7), and one O(8) atom to form CrO6 octahedra that share corners with two equivalent Cr(1)O6 octahedra, corners with two equivalent Cr(3)O6 octahedra, corners with two equivalent Cr(4)O6 octahedra, corners with three equivalent Li(1)O4 tetrahedra, corners with three equivalent Li(2)O4 trigonal pyramids,  an edgeedge with one Cr(1)O6 octahedra,  an edgeedge with one Cr(3)O6 octahedra, and  an edgeedge with one Cr(4)O6 octahedra. The corner-sharing octahedral tilt angles range from 49-53°. The Cr(2)-O(1) bond length is 2.11 Å. The Cr(2)-O(2) bond length is 2.03 Å. The Cr(2)-O(5) bond length is 2.05 Å. The Cr(2)-O(6) bond length is 2.03 Å. The Cr(2)-O(7) bond length is 2.02 Å. The Cr(2)-O(8) bond length is 2.07 Å. In the third Cr site, Cr(3) is bonded to one O(2), one O(3), one O(4), one O(5), one O(7), and one O(8) atom to form CrO6 octahedra that share corners with two equivalent Cr(2)O6 octahedra, corners with three equivalent Li(1)O4 tetrahedra,  a cornercorner with one Li(2)O4 trigonal pyramid,  an edgeedge with one Cr(2)O6 octahedra, edges with two equivalent Cr(1)O6 octahedra, edges with two equivalent Cr(4)O6 octahedra, and  an edgeedge with one Li(2)O4 trigonal pyramid. The corner-sharing octahedral tilt angles are 53°. The Cr(3)-O(2) bond length is 2.01 Å. The Cr(3)-O(3) bond length is 1.98 Å. The Cr(3)-O(4) bond length is 1.97 Å. The Cr(3)-O(5) bond length is 2.05 Å. The Cr(3)-O(7) bond length is 2.00 Å. The Cr(3)-O(8) bond length is 2.05 Å. In the fourth Cr site, Cr(4) is bonded to one O(1), one O(3), one O(4), one O(5), one O(6), and one O(7) atom to form CrO6 octahedra that share corners with two equivalent Cr(2)O6 octahedra, corners with three equivalent Li(1)O4 tetrahedra,  a cornercorner with one Li(2)O4 trigonal pyramid,  an edgeedge with one Cr(2)O6 octahedra, edges with two equivalent Cr(1)O6 octahedra, edges with two equivalent Cr(3)O6 octahedra, and  an edgeedge with one Li(2)O4 trigonal pyramid. The corner-sharing octahedral tilt angles range from 49-50°. The Cr(4)-O(1) bond length is 1.97 Å. The Cr(4)-O(3) bond length is 1.96 Å. The Cr(4)-O(4) bond length is 1.96 Å. The Cr(4)-O(5) bond length is 1.91 Å. The Cr(4)-O(6) bond length is 1.99 Å. The Cr(4)-O(7) bond length is 1.97 Å. There are eight inequivalent O sites. In the first O site, O(8) is bonded in a distorted rectangular see-saw-like geometry to one Li(2), one Cr(1), one Cr(2), and one Cr(3) atom. In the second O site, O(1) is bonded in a distorted rectangular see-saw-like geometry to one Li(2), one Cr(1), one Cr(2), and one Cr(4) atom. In the third O site, O(2) is bonded to one Li(1), one Cr(1), one Cr(2), and one Cr(3) atom to form a mixture of distorted corner and edge-sharing OLiCr3 tetrahedra. In the fourth O site, O(3) is bonded to one Li(1), one Cr(1), one Cr(3), and one Cr(4) atom to form a mixture of distorted corner and edge-sharing OLiCr3 trigonal pyramids. In the fifth O site, O(4) is bonded to one Li(2), one Cr(1), one Cr(3), and one Cr(4) atom to form distorted corner-sharing OLiCr3 tetrahedra. In the sixth O site, O(5) is bonded in a rectangular see-saw-like geometry to one Li(2), one Cr(2), one Cr(3), and one Cr(4) atom. In the seventh O site, O(6) is bonded to one Li(1), one Cr(1), one Cr(2), and one Cr(4) atom to form a mixture of distorted corner and edge-sharing OLiCr3 tetrahedra. In the eighth O site, O(7) is bonded to one Li(1), one Cr(2), one Cr(3), and one Cr(4) atom to form a mixture of distorted corner and edge-sharing OLiCr3 tetrahedra.