Cs2LiMnO4 crystallizes in the orthorhombic Cmc2_1 space group. There are two inequivalent Cs sites. In the first Cs site, Cs(1) is bonded in a 6-coordinate geometry to two equivalent O(1), two equivalent O(2), and two equivalent O(3) atoms. In the second Cs site, Cs(2) is bonded in a 6-coordinate geometry to two equivalent O(1), two equivalent O(2), and two equivalent O(3) atoms. Li(1) is bonded to one O(1), one O(2), and two equivalent O(3) atoms to form LiO4 tetrahedra that share corners with two equivalent Mn(1)O4 tetrahedra and  an edgeedge with one Mn(1)O4 tetrahedra. Mn(1) is bonded to one O(1), one O(2), and two equivalent O(3) atoms to form MnO4 tetrahedra that share corners with two equivalent Li(1)O4 tetrahedra and  an edgeedge with one Li(1)O4 tetrahedra. There are three inequivalent O sites. In the first O site, O(1) is bonded in a distorted L-shaped geometry to two equivalent Cs(1), two equivalent Cs(2), one Li(1), and one Mn(1) atom. In the second O site, O(2) is bonded in a distorted L-shaped geometry to two equivalent Cs(1), two equivalent Cs(2), one Li(1), and one Mn(1) atom. In the third O site, O(3) is bonded in a distorted bent 150 degrees geometry to one Cs(1), one Cs(2), one Li(1), and one Mn(1) atom.
Cs2LiMnO4 crystallizes in the orthorhombic Cmc2_1 space group. There are two inequivalent Cs sites. In the first Cs site, Cs(1) is bonded in a 6-coordinate geometry to two equivalent O(1), two equivalent O(2), and two equivalent O(3) atoms. There is one shorter (3.13 Å) and one longer (3.22 Å) Cs(1)-O(1) bond length. Both Cs(1)-O(2) bond lengths are 3.13 Å. Both Cs(1)-O(3) bond lengths are 3.20 Å. In the second Cs site, Cs(2) is bonded in a 6-coordinate geometry to two equivalent O(1), two equivalent O(2), and two equivalent O(3) atoms. Both Cs(2)-O(1) bond lengths are 3.15 Å. There is one shorter (3.12 Å) and one longer (3.21 Å) Cs(2)-O(2) bond length. Both Cs(2)-O(3) bond lengths are 3.17 Å. Li(1) is bonded to one O(1), one O(2), and two equivalent O(3) atoms to form LiO4 tetrahedra that share corners with two equivalent Mn(1)O4 tetrahedra and  an edgeedge with one Mn(1)O4 tetrahedra. The Li(1)-O(1) bond length is 2.04 Å. The Li(1)-O(2) bond length is 2.02 Å. Both Li(1)-O(3) bond lengths are 1.96 Å. Mn(1) is bonded to one O(1), one O(2), and two equivalent O(3) atoms to form MnO4 tetrahedra that share corners with two equivalent Li(1)O4 tetrahedra and  an edgeedge with one Li(1)O4 tetrahedra. The Mn(1)-O(1) bond length is 1.73 Å. The Mn(1)-O(2) bond length is 1.74 Å. Both Mn(1)-O(3) bond lengths are 1.72 Å. There are three inequivalent O sites. In the first O site, O(1) is bonded in a distorted L-shaped geometry to two equivalent Cs(1), two equivalent Cs(2), one Li(1), and one Mn(1) atom. In the second O site, O(2) is bonded in a distorted L-shaped geometry to two equivalent Cs(1), two equivalent Cs(2), one Li(1), and one Mn(1) atom. In the third O site, O(3) is bonded in a distorted bent 150 degrees geometry to one Cs(1), one Cs(2), one Li(1), and one Mn(1) atom.