LiLa4MnO8 is (La,Ba)CuO4-derived structured and crystallizes in the orthorhombic Cmmm space group. Li(1) is bonded to two equivalent O(2) and four equivalent O(3) atoms to form LiO6 octahedra that share corners with four equivalent Mn(1)O6 octahedra. The corner-sharing octahedra are not tilted. There are two inequivalent La sites. In the first La site, La(1) is bonded in a 9-coordinate geometry to two equivalent O(1), three equivalent O(2), and four equivalent O(3) atoms. In the second La site, La(2) is bonded in a 9-coordinate geometry to two equivalent O(2), three equivalent O(1), and four equivalent O(3) atoms. Mn(1) is bonded to two equivalent O(1) and four equivalent O(3) atoms to form MnO6 octahedra that share corners with four equivalent Li(1)O6 octahedra. The corner-sharing octahedra are not tilted. There are three inequivalent O sites. In the first O site, O(1) is bonded to two equivalent La(1), three equivalent La(2), and one Mn(1) atom to form distorted OLa5Mn octahedra that share corners with five equivalent O(1)La5Mn octahedra, corners with twelve equivalent O(3)LiLa4Mn octahedra, edges with two equivalent O(1)La5Mn octahedra, edges with six equivalent O(2)LiLa5 octahedra, and faces with four equivalent O(3)LiLa4Mn octahedra. The corner-sharing octahedral tilt angles range from 0-50°. In the second O site, O(2) is bonded to one Li(1), two equivalent La(2), and three equivalent La(1) atoms to form distorted OLiLa5 octahedra that share corners with five equivalent O(2)LiLa5 octahedra, corners with twelve equivalent O(3)LiLa4Mn octahedra, edges with two equivalent O(2)LiLa5 octahedra, edges with six equivalent O(1)La5Mn octahedra, and faces with four equivalent O(3)LiLa4Mn octahedra. The corner-sharing octahedral tilt angles range from 0-50°. In the third O site, O(3) is bonded to one Li(1), two equivalent La(1), two equivalent La(2), and one Mn(1) atom to form distorted OLiLa4Mn octahedra that share corners with two equivalent O(3)LiLa4Mn octahedra, corners with six equivalent O(1)La5Mn octahedra, corners with six equivalent O(2)LiLa5 octahedra, edges with two equivalent O(3)LiLa4Mn octahedra, faces with two equivalent O(1)La5Mn octahedra, faces with two equivalent O(2)LiLa5 octahedra, and faces with four equivalent O(3)LiLa4Mn octahedra. The corner-sharing octahedral tilt angles range from 0-50°.
LiLa4MnO8 is (La,Ba)CuO4-derived structured and crystallizes in the orthorhombic Cmmm space group. Li(1) is bonded to two equivalent O(2) and four equivalent O(3) atoms to form LiO6 octahedra that share corners with four equivalent Mn(1)O6 octahedra. The corner-sharing octahedra are not tilted. Both Li(1)-O(2) bond lengths are 2.35 Å. All Li(1)-O(3) bond lengths are 1.94 Å. There are two inequivalent La sites. In the first La site, La(1) is bonded in a 9-coordinate geometry to two equivalent O(1), three equivalent O(2), and four equivalent O(3) atoms. Both La(1)-O(1) bond lengths are 2.76 Å. There is one shorter (2.31 Å) and two longer (2.76 Å) La(1)-O(2) bond lengths. All La(1)-O(3) bond lengths are 2.62 Å. In the second La site, La(2) is bonded in a 9-coordinate geometry to two equivalent O(2), three equivalent O(1), and four equivalent O(3) atoms. Both La(2)-O(2) bond lengths are 2.77 Å. There is one shorter (2.35 Å) and two longer (2.76 Å) La(2)-O(1) bond lengths. All La(2)-O(3) bond lengths are 2.60 Å. Mn(1) is bonded to two equivalent O(1) and four equivalent O(3) atoms to form MnO6 octahedra that share corners with four equivalent Li(1)O6 octahedra. The corner-sharing octahedra are not tilted. Both Mn(1)-O(1) bond lengths are 2.33 Å. All Mn(1)-O(3) bond lengths are 1.89 Å. There are three inequivalent O sites. In the first O site, O(1) is bonded to two equivalent La(1), three equivalent La(2), and one Mn(1) atom to form distorted OLa5Mn octahedra that share corners with five equivalent O(1)La5Mn octahedra, corners with twelve equivalent O(3)LiLa4Mn octahedra, edges with two equivalent O(1)La5Mn octahedra, edges with six equivalent O(2)LiLa5 octahedra, and faces with four equivalent O(3)LiLa4Mn octahedra. The corner-sharing octahedral tilt angles range from 0-50°. In the second O site, O(2) is bonded to one Li(1), two equivalent La(2), and three equivalent La(1) atoms to form distorted OLiLa5 octahedra that share corners with five equivalent O(2)LiLa5 octahedra, corners with twelve equivalent O(3)LiLa4Mn octahedra, edges with two equivalent O(2)LiLa5 octahedra, edges with six equivalent O(1)La5Mn octahedra, and faces with four equivalent O(3)LiLa4Mn octahedra. The corner-sharing octahedral tilt angles range from 0-50°. In the third O site, O(3) is bonded to one Li(1), two equivalent La(1), two equivalent La(2), and one Mn(1) atom to form distorted OLiLa4Mn octahedra that share corners with two equivalent O(3)LiLa4Mn octahedra, corners with six equivalent O(1)La5Mn octahedra, corners with six equivalent O(2)LiLa5 octahedra, edges with two equivalent O(3)LiLa4Mn octahedra, faces with two equivalent O(1)La5Mn octahedra, faces with two equivalent O(2)LiLa5 octahedra, and faces with four equivalent O(3)LiLa4Mn octahedra. The corner-sharing octahedral tilt angles range from 0-50°.