LiCr2O4 is Spinel-like structured and crystallizes in the orthorhombic Imma space group. Li(1) is bonded to two equivalent O(1) and four equivalent O(2) atoms to form LiO6 octahedra that share corners with six equivalent Cr(1)O4 tetrahedra, edges with two equivalent Li(1)O6 octahedra, and edges with four equivalent Cr(2)O6 octahedra. There are two inequivalent Cr sites. In the first Cr site, Cr(1) is bonded to two equivalent O(1) and two equivalent O(2) atoms to form CrO4 tetrahedra that share corners with six equivalent Li(1)O6 octahedra and corners with six equivalent Cr(2)O6 octahedra. The corner-sharing octahedral tilt angles range from 54-58°. In the second Cr site, Cr(2) is bonded to two equivalent O(2) and four equivalent O(1) atoms to form CrO6 octahedra that share corners with six equivalent Cr(1)O4 tetrahedra, edges with two equivalent Cr(2)O6 octahedra, and edges with four equivalent Li(1)O6 octahedra. There are two inequivalent O sites. In the first O site, O(1) is bonded in a rectangular see-saw-like geometry to one Li(1), one Cr(1), and two equivalent Cr(2) atoms. In the second O site, O(2) is bonded in a rectangular see-saw-like geometry to two equivalent Li(1), one Cr(1), and one Cr(2) atom.
LiCr2O4 is Spinel-like structured and crystallizes in the orthorhombic Imma space group. Li(1) is bonded to two equivalent O(1) and four equivalent O(2) atoms to form LiO6 octahedra that share corners with six equivalent Cr(1)O4 tetrahedra, edges with two equivalent Li(1)O6 octahedra, and edges with four equivalent Cr(2)O6 octahedra. Both Li(1)-O(1) bond lengths are 2.06 Å. All Li(1)-O(2) bond lengths are 2.11 Å. There are two inequivalent Cr sites. In the first Cr site, Cr(1) is bonded to two equivalent O(1) and two equivalent O(2) atoms to form CrO4 tetrahedra that share corners with six equivalent Li(1)O6 octahedra and corners with six equivalent Cr(2)O6 octahedra. The corner-sharing octahedral tilt angles range from 54-58°. Both Cr(1)-O(1) bond lengths are 1.86 Å. Both Cr(1)-O(2) bond lengths are 1.79 Å. In the second Cr site, Cr(2) is bonded to two equivalent O(2) and four equivalent O(1) atoms to form CrO6 octahedra that share corners with six equivalent Cr(1)O4 tetrahedra, edges with two equivalent Cr(2)O6 octahedra, and edges with four equivalent Li(1)O6 octahedra. Both Cr(2)-O(2) bond lengths are 2.00 Å. All Cr(2)-O(1) bond lengths are 2.03 Å. There are two inequivalent O sites. In the first O site, O(1) is bonded in a rectangular see-saw-like geometry to one Li(1), one Cr(1), and two equivalent Cr(2) atoms. In the second O site, O(2) is bonded in a rectangular see-saw-like geometry to two equivalent Li(1), one Cr(1), and one Cr(2) atom.