LiCr2O5 crystallizes in the orthorhombic Pnma space group. Li(1) is bonded to one O(1), one O(3), and two equivalent O(2) atoms to form LiO4 tetrahedra that share corners with four equivalent Cr(1)O6 octahedra and corners with three equivalent Cr(2)O4 tetrahedra. The corner-sharing octahedral tilt angles range from 53-62°. There are two inequivalent Cr sites. In the first Cr site, Cr(1) is bonded to two equivalent O(2), two equivalent O(3), and two equivalent O(4) atoms to form CrO6 octahedra that share corners with four equivalent Li(1)O4 tetrahedra, corners with four equivalent Cr(2)O4 tetrahedra, and edges with two equivalent Cr(1)O6 octahedra. In the second Cr site, Cr(2) is bonded to one O(1), one O(4), and two equivalent O(2) atoms to form CrO4 tetrahedra that share corners with four equivalent Cr(1)O6 octahedra and corners with three equivalent Li(1)O4 tetrahedra. The corner-sharing octahedral tilt angles range from 48-52°. There are four inequivalent O sites. In the first O site, O(1) is bonded in a linear geometry to one Li(1) and one Cr(2) atom. In the second O site, O(2) is bonded in a trigonal planar geometry to one Li(1), one Cr(1), and one Cr(2) atom. In the third O site, O(3) is bonded in a trigonal planar geometry to one Li(1) and two equivalent Cr(1) atoms. In the fourth O site, O(4) is bonded in a distorted trigonal planar geometry to one Cr(2) and two equivalent Cr(1) atoms.
LiCr2O5 crystallizes in the orthorhombic Pnma space group. Li(1) is bonded to one O(1), one O(3), and two equivalent O(2) atoms to form LiO4 tetrahedra that share corners with four equivalent Cr(1)O6 octahedra and corners with three equivalent Cr(2)O4 tetrahedra. The corner-sharing octahedral tilt angles range from 53-62°. The Li(1)-O(1) bond length is 1.99 Å. The Li(1)-O(3) bond length is 1.91 Å. Both Li(1)-O(2) bond lengths are 1.98 Å. There are two inequivalent Cr sites. In the first Cr site, Cr(1) is bonded to two equivalent O(2), two equivalent O(3), and two equivalent O(4) atoms to form CrO6 octahedra that share corners with four equivalent Li(1)O4 tetrahedra, corners with four equivalent Cr(2)O4 tetrahedra, and edges with two equivalent Cr(1)O6 octahedra. Both Cr(1)-O(2) bond lengths are 2.03 Å. Both Cr(1)-O(3) bond lengths are 1.91 Å. Both Cr(1)-O(4) bond lengths are 2.07 Å. In the second Cr site, Cr(2) is bonded to one O(1), one O(4), and two equivalent O(2) atoms to form CrO4 tetrahedra that share corners with four equivalent Cr(1)O6 octahedra and corners with three equivalent Li(1)O4 tetrahedra. The corner-sharing octahedral tilt angles range from 48-52°. The Cr(2)-O(1) bond length is 1.62 Å. The Cr(2)-O(4) bond length is 1.76 Å. Both Cr(2)-O(2) bond lengths are 1.70 Å. There are four inequivalent O sites. In the first O site, O(1) is bonded in a linear geometry to one Li(1) and one Cr(2) atom. In the second O site, O(2) is bonded in a trigonal planar geometry to one Li(1), one Cr(1), and one Cr(2) atom. In the third O site, O(3) is bonded in a trigonal planar geometry to one Li(1) and two equivalent Cr(1) atoms. In the fourth O site, O(4) is bonded in a distorted trigonal planar geometry to one Cr(2) and two equivalent Cr(1) atoms.