Li2CrO4 crystallizes in the triclinic P-1 space group. There are two inequivalent Li sites. In the first Li site, Li(1) is bonded to one O(1), one O(2), one O(3), and one O(4) atom to form distorted LiO4 trigonal pyramids that share  a cornercorner with one Li(2)O5 square pyramid, corners with four equivalent Cr(1)O4 tetrahedra, and edges with two equivalent Li(2)O5 square pyramids. In the second Li site, Li(2) is bonded to one O(2), two equivalent O(3), and two equivalent O(4) atoms to form distorted LiO5 square pyramids that share corners with three equivalent Cr(1)O4 tetrahedra,  a cornercorner with one Li(1)O4 trigonal pyramid, edges with two equivalent Li(2)O5 square pyramids,  an edgeedge with one Cr(1)O4 tetrahedra, and edges with two equivalent Li(1)O4 trigonal pyramids. Cr(1) is bonded to one O(1), one O(2), one O(3), and one O(4) atom to form CrO4 tetrahedra that share corners with three equivalent Li(2)O5 square pyramids, corners with four equivalent Li(1)O4 trigonal pyramids, and  an edgeedge with one Li(2)O5 square pyramid. There are four 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(1) atom. In the second O site, O(2) is bonded in a T-shaped geometry to one Li(1), one Li(2), and one Cr(1) atom. In the third O site, O(3) is bonded in a see-saw-like geometry to one Li(1), two equivalent Li(2), and one Cr(1) atom. In the fourth O site, O(4) is bonded in a rectangular see-saw-like geometry to one Li(1), two equivalent Li(2), and one Cr(1) atom.
Li2CrO4 crystallizes in the triclinic P-1 space group. There are two inequivalent Li sites. In the first Li site, Li(1) is bonded to one O(1), one O(2), one O(3), and one O(4) atom to form distorted LiO4 trigonal pyramids that share  a cornercorner with one Li(2)O5 square pyramid, corners with four equivalent Cr(1)O4 tetrahedra, and edges with two equivalent Li(2)O5 square pyramids. The Li(1)-O(1) bond length is 1.97 Å. The Li(1)-O(2) bond length is 1.97 Å. The Li(1)-O(3) bond length is 2.06 Å. The Li(1)-O(4) bond length is 2.07 Å. In the second Li site, Li(2) is bonded to one O(2), two equivalent O(3), and two equivalent O(4) atoms to form distorted LiO5 square pyramids that share corners with three equivalent Cr(1)O4 tetrahedra,  a cornercorner with one Li(1)O4 trigonal pyramid, edges with two equivalent Li(2)O5 square pyramids,  an edgeedge with one Cr(1)O4 tetrahedra, and edges with two equivalent Li(1)O4 trigonal pyramids. The Li(2)-O(2) bond length is 2.28 Å. There is one shorter (2.03 Å) and one longer (2.13 Å) Li(2)-O(3) bond length. There is one shorter (2.02 Å) and one longer (2.07 Å) Li(2)-O(4) bond length. Cr(1) is bonded to one O(1), one O(2), one O(3), and one O(4) atom to form CrO4 tetrahedra that share corners with three equivalent Li(2)O5 square pyramids, corners with four equivalent Li(1)O4 trigonal pyramids, and  an edgeedge with one Li(2)O5 square pyramid. The Cr(1)-O(1) bond length is 1.64 Å. The Cr(1)-O(2) bond length is 1.64 Å. The Cr(1)-O(3) bond length is 1.69 Å. The Cr(1)-O(4) bond length is 1.69 Å. There are four 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(1) atom. In the second O site, O(2) is bonded in a T-shaped geometry to one Li(1), one Li(2), and one Cr(1) atom. In the third O site, O(3) is bonded in a see-saw-like geometry to one Li(1), two equivalent Li(2), and one Cr(1) atom. In the fourth O site, O(4) is bonded in a rectangular see-saw-like geometry to one Li(1), two equivalent Li(2), and one Cr(1) atom.