LiCr3O8 crystallizes in the monoclinic C2/m space group. Li(1) is bonded to two equivalent O(1) and four equivalent O(3) atoms to form LiO6 octahedra that share corners with six equivalent Cr(2)O4 tetrahedra and edges with two equivalent Cr(1)O6 octahedra. There are two inequivalent Cr sites. In the first Cr site, Cr(1) is bonded to two equivalent O(2) and four equivalent O(3) atoms to form CrO6 octahedra that share corners with six equivalent Cr(2)O4 tetrahedra and edges with two equivalent Li(1)O6 octahedra. In the second Cr site, Cr(2) is bonded to one O(1), one O(2), and two equivalent O(3) atoms to form CrO4 tetrahedra that share corners with three equivalent Li(1)O6 octahedra and corners with three equivalent Cr(1)O6 octahedra. The corner-sharing octahedral tilt angles range from 42-57°. There are three inequivalent O sites. In the first O site, O(1) is bonded in a bent 120 degrees geometry to one Li(1) and one Cr(2) atom. In the second O site, O(2) is bonded in a bent 150 degrees geometry to one Cr(1) and one Cr(2) atom. In the third O site, O(3) is bonded in a distorted trigonal planar geometry to one Li(1), one Cr(1), and one Cr(2) atom.
LiCr3O8 crystallizes in the monoclinic C2/m space group. Li(1) is bonded to two equivalent O(1) and four equivalent O(3) atoms to form LiO6 octahedra that share corners with six equivalent Cr(2)O4 tetrahedra and edges with two equivalent Cr(1)O6 octahedra. Both Li(1)-O(1) bond lengths are 2.13 Å. All Li(1)-O(3) bond lengths are 2.15 Å. There are two inequivalent Cr sites. In the first Cr site, Cr(1) is bonded to two equivalent O(2) and four equivalent O(3) atoms to form CrO6 octahedra that share corners with six equivalent Cr(2)O4 tetrahedra and edges with two equivalent Li(1)O6 octahedra. Both Cr(1)-O(2) bond lengths are 1.93 Å. All Cr(1)-O(3) bond lengths are 1.96 Å. In the second Cr site, Cr(2) is bonded to one O(1), one O(2), and two equivalent O(3) atoms to form CrO4 tetrahedra that share corners with three equivalent Li(1)O6 octahedra and corners with three equivalent Cr(1)O6 octahedra. The corner-sharing octahedral tilt angles range from 42-57°. The Cr(2)-O(1) bond length is 1.59 Å. The Cr(2)-O(2) bond length is 1.64 Å. Both Cr(2)-O(3) bond lengths are 1.69 Å. There are three inequivalent O sites. In the first O site, O(1) is bonded in a bent 120 degrees geometry to one Li(1) and one Cr(2) atom. In the second O site, O(2) is bonded in a bent 150 degrees geometry to one Cr(1) and one Cr(2) atom. In the third O site, O(3) is bonded in a distorted trigonal planar geometry to one Li(1), one Cr(1), and one Cr(2) atom.