LiCr2O4 crystallizes in the orthorhombic Pnma space group. Li(1) is bonded in a 4-coordinate geometry to two equivalent O(1) and two equivalent O(2) atoms. There are two inequivalent Cr sites. In the first Cr site, Cr(1) is bonded to one O(3), two equivalent O(4), and three equivalent O(1) atoms to form a mixture of corner and edge-sharing CrO6 octahedra. The corner-sharing octahedral tilt angles range from 49-56°. In the second Cr site, Cr(2) is bonded to one O(4), two equivalent O(3), and three equivalent O(2) atoms to form a mixture of corner and edge-sharing CrO6 octahedra. The corner-sharing octahedral tilt angles range from 49-56°. There are four inequivalent O sites. In the first O site, O(1) is bonded to two equivalent Li(1) and three equivalent Cr(1) atoms to form a mixture of corner and edge-sharing OLi2Cr3 trigonal bipyramids. In the second O site, O(2) is bonded to two equivalent Li(1) and three equivalent Cr(2) atoms to form a mixture of distorted corner and edge-sharing OLi2Cr3 trigonal bipyramids. In the third O site, O(3) is bonded in a distorted trigonal planar geometry to one Cr(1) and two equivalent Cr(2) atoms. In the fourth O site, O(4) is bonded in a 3-coordinate geometry to one Cr(2) and two equivalent Cr(1) atoms.
LiCr2O4 crystallizes in the orthorhombic Pnma space group. Li(1) is bonded in a 4-coordinate geometry to two equivalent O(1) and two equivalent O(2) atoms. Both Li(1)-O(1) bond lengths are 2.14 Å. Both Li(1)-O(2) bond lengths are 2.24 Å. There are two inequivalent Cr sites. In the first Cr site, Cr(1) is bonded to one O(3), two equivalent O(4), and three equivalent O(1) atoms to form a mixture of corner and edge-sharing CrO6 octahedra. The corner-sharing octahedral tilt angles range from 49-56°. The Cr(1)-O(3) bond length is 2.02 Å. Both Cr(1)-O(4) bond lengths are 1.96 Å. There is one shorter (2.00 Å) and two longer (2.01 Å) Cr(1)-O(1) bond lengths. In the second Cr site, Cr(2) is bonded to one O(4), two equivalent O(3), and three equivalent O(2) atoms to form a mixture of corner and edge-sharing CrO6 octahedra. The corner-sharing octahedral tilt angles range from 49-56°. The Cr(2)-O(4) bond length is 1.88 Å. Both Cr(2)-O(3) bond lengths are 1.96 Å. There is one shorter (1.96 Å) and two longer (2.01 Å) Cr(2)-O(2) bond lengths. There are four inequivalent O sites. In the first O site, O(1) is bonded to two equivalent Li(1) and three equivalent Cr(1) atoms to form a mixture of corner and edge-sharing OLi2Cr3 trigonal bipyramids. In the second O site, O(2) is bonded to two equivalent Li(1) and three equivalent Cr(2) atoms to form a mixture of distorted corner and edge-sharing OLi2Cr3 trigonal bipyramids. In the third O site, O(3) is bonded in a distorted trigonal planar geometry to one Cr(1) and two equivalent Cr(2) atoms. In the fourth O site, O(4) is bonded in a 3-coordinate geometry to one Cr(2) and two equivalent Cr(1) atoms.