Li2CrO3 is Caswellsilverite-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 two equivalent O(1), two equivalent O(2), and two equivalent O(3) atoms to form LiO6 octahedra that share corners with two equivalent Li(1)O6 octahedra, corners with two equivalent Li(2)O6 octahedra, corners with two equivalent Cr(1)O6 octahedra, edges with two equivalent Li(1)O6 octahedra, edges with five equivalent Li(2)O6 octahedra, and edges with five equivalent Cr(1)O6 octahedra. The corner-sharing octahedral tilt angles range from 3-15°. In the second Li site, Li(2) is bonded to two equivalent O(1), two equivalent O(2), and two equivalent O(3) atoms to form LiO6 octahedra that share corners with two equivalent Li(1)O6 octahedra, corners with two equivalent Li(2)O6 octahedra, corners with two equivalent Cr(1)O6 octahedra, edges with two equivalent Li(2)O6 octahedra, edges with five equivalent Li(1)O6 octahedra, and edges with five equivalent Cr(1)O6 octahedra. The corner-sharing octahedral tilt angles range from 4-15°. Cr(1) is bonded to two equivalent O(1), two equivalent O(2), and two equivalent O(3) atoms to form CrO6 octahedra that share corners with two equivalent Li(1)O6 octahedra, corners with two equivalent Li(2)O6 octahedra, corners with two equivalent Cr(1)O6 octahedra, edges with two equivalent Cr(1)O6 octahedra, edges with five equivalent Li(1)O6 octahedra, and edges with five equivalent Li(2)O6 octahedra. The corner-sharing octahedral tilt angles range from 3-12°. There are three inequivalent O sites. In the first O site, O(1) is bonded to two equivalent Li(1), two equivalent Li(2), and two equivalent Cr(1) atoms to form a mixture of edge and corner-sharing OLi4Cr2 octahedra. The corner-sharing octahedral tilt angles range from 4-10°. In the second O site, O(2) is bonded to two equivalent Li(1), two equivalent Li(2), and two equivalent Cr(1) atoms to form a mixture of edge and corner-sharing OLi4Cr2 octahedra. The corner-sharing octahedral tilt angles range from 4-9°. In the third O site, O(3) is bonded to two equivalent Li(1), two equivalent Li(2), and two equivalent Cr(1) atoms to form a mixture of distorted edge and corner-sharing OLi4Cr2 octahedra. The corner-sharing octahedral tilt angles range from 4-12°.
Li2CrO3 is Caswellsilverite-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 two equivalent O(1), two equivalent O(2), and two equivalent O(3) atoms to form LiO6 octahedra that share corners with two equivalent Li(1)O6 octahedra, corners with two equivalent Li(2)O6 octahedra, corners with two equivalent Cr(1)O6 octahedra, edges with two equivalent Li(1)O6 octahedra, edges with five equivalent Li(2)O6 octahedra, and edges with five equivalent Cr(1)O6 octahedra. The corner-sharing octahedral tilt angles range from 3-15°. There is one shorter (2.08 Å) and one longer (2.09 Å) Li(1)-O(1) bond length. There is one shorter (2.09 Å) and one longer (2.11 Å) Li(1)-O(2) bond length. There is one shorter (2.12 Å) and one longer (2.13 Å) Li(1)-O(3) bond length. In the second Li site, Li(2) is bonded to two equivalent O(1), two equivalent O(2), and two equivalent O(3) atoms to form LiO6 octahedra that share corners with two equivalent Li(1)O6 octahedra, corners with two equivalent Li(2)O6 octahedra, corners with two equivalent Cr(1)O6 octahedra, edges with two equivalent Li(2)O6 octahedra, edges with five equivalent Li(1)O6 octahedra, and edges with five equivalent Cr(1)O6 octahedra. The corner-sharing octahedral tilt angles range from 4-15°. There is one shorter (2.02 Å) and one longer (2.22 Å) Li(2)-O(1) bond length. There is one shorter (2.03 Å) and one longer (2.04 Å) Li(2)-O(2) bond length. There is one shorter (2.00 Å) and one longer (2.35 Å) Li(2)-O(3) bond length. Cr(1) is bonded to two equivalent O(1), two equivalent O(2), and two equivalent O(3) atoms to form CrO6 octahedra that share corners with two equivalent Li(1)O6 octahedra, corners with two equivalent Li(2)O6 octahedra, corners with two equivalent Cr(1)O6 octahedra, edges with two equivalent Cr(1)O6 octahedra, edges with five equivalent Li(1)O6 octahedra, and edges with five equivalent Li(2)O6 octahedra. The corner-sharing octahedral tilt angles range from 3-12°. Both Cr(1)-O(1) bond lengths are 1.96 Å. There is one shorter (1.88 Å) and one longer (2.08 Å) Cr(1)-O(2) bond length. There is one shorter (1.88 Å) and one longer (2.01 Å) Cr(1)-O(3) bond length. There are three inequivalent O sites. In the first O site, O(1) is bonded to two equivalent Li(1), two equivalent Li(2), and two equivalent Cr(1) atoms to form a mixture of edge and corner-sharing OLi4Cr2 octahedra. The corner-sharing octahedral tilt angles range from 4-10°. In the second O site, O(2) is bonded to two equivalent Li(1), two equivalent Li(2), and two equivalent Cr(1) atoms to form a mixture of edge and corner-sharing OLi4Cr2 octahedra. The corner-sharing octahedral tilt angles range from 4-9°. In the third O site, O(3) is bonded to two equivalent Li(1), two equivalent Li(2), and two equivalent Cr(1) atoms to form a mixture of distorted edge and corner-sharing OLi4Cr2 octahedra. The corner-sharing octahedral tilt angles range from 4-12°.