CsLiCrO4 crystallizes in the monoclinic P2_1/c space group. Cs(1) is bonded in a 9-coordinate geometry to two equivalent O(1), two equivalent O(2), two equivalent O(4), and three equivalent O(3) atoms. Li(1) is bonded to one O(1), one O(2), one O(3), and one O(4) atom to form LiO4 tetrahedra that share corners with four equivalent Cr(1)O4 tetrahedra. 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 four equivalent Li(1)O4 tetrahedra. There are four inequivalent O sites. In the first O site, O(1) is bonded in a distorted bent 150 degrees geometry to two equivalent Cs(1), one Li(1), and one Cr(1) atom. In the second O site, O(2) is bonded in a 2-coordinate geometry to two equivalent Cs(1), one Li(1), and one Cr(1) atom. In the third O site, O(3) is bonded in a linear geometry to three equivalent Cs(1), one Li(1), and one Cr(1) atom. In the fourth O site, O(4) is bonded in a 2-coordinate geometry to two equivalent Cs(1), one Li(1), and one Cr(1) atom.
CsLiCrO4 crystallizes in the monoclinic P2_1/c space group. Cs(1) is bonded in a 9-coordinate geometry to two equivalent O(1), two equivalent O(2), two equivalent O(4), and three equivalent O(3) atoms. There is one shorter (3.19 Å) and one longer (3.37 Å) Cs(1)-O(1) bond length. There is one shorter (3.06 Å) and one longer (3.53 Å) Cs(1)-O(2) bond length. There is one shorter (3.05 Å) and one longer (3.53 Å) Cs(1)-O(4) bond length. There are a spread of Cs(1)-O(3) bond distances ranging from 3.42-3.63 Å. Li(1) is bonded to one O(1), one O(2), one O(3), and one O(4) atom to form LiO4 tetrahedra that share corners with four equivalent Cr(1)O4 tetrahedra. The Li(1)-O(1) bond length is 1.96 Å. The Li(1)-O(2) bond length is 1.97 Å. The Li(1)-O(3) bond length is 1.97 Å. The Li(1)-O(4) bond length is 1.98 Å. 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 four equivalent Li(1)O4 tetrahedra. The Cr(1)-O(1) bond length is 1.67 Å. The Cr(1)-O(2) bond length is 1.67 Å. The Cr(1)-O(3) bond length is 1.66 Å. The Cr(1)-O(4) bond length is 1.67 Å. There are four inequivalent O sites. In the first O site, O(1) is bonded in a distorted bent 150 degrees geometry to two equivalent Cs(1), one Li(1), and one Cr(1) atom. In the second O site, O(2) is bonded in a 2-coordinate geometry to two equivalent Cs(1), one Li(1), and one Cr(1) atom. In the third O site, O(3) is bonded in a linear geometry to three equivalent Cs(1), one Li(1), and one Cr(1) atom. In the fourth O site, O(4) is bonded in a 2-coordinate geometry to two equivalent Cs(1), one Li(1), and one Cr(1) atom.