LiLa4AlO8 is (La,Ba)CuO4-derived structured and crystallizes in the orthorhombic Cmmm space group. Li(1) is bonded to two equivalent O(1) and four equivalent O(3) atoms to form LiO6 octahedra that share corners with four equivalent Al(1)O6 octahedra. The corner-sharing octahedral tilt angles are 1°. There are two inequivalent La sites. In the first La site, La(1) is bonded in a 9-coordinate geometry to two equivalent O(2), three equivalent O(1), and four equivalent O(3) atoms. In the second La site, La(2) is bonded in a 9-coordinate geometry to two equivalent O(1), three equivalent O(2), and four equivalent O(3) atoms. Al(1) is bonded to two equivalent O(2) and four equivalent O(3) atoms to form AlO6 octahedra that share corners with four equivalent Li(1)O6 octahedra. The corner-sharing octahedral tilt angles are 1°. There are three inequivalent O sites. In the first O site, O(1) 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(1)LiLa5 octahedra, corners with twelve equivalent O(3)LiLa4Al octahedra, edges with two equivalent O(1)LiLa5 octahedra, edges with six equivalent O(2)La5Al octahedra, and faces with four equivalent O(3)LiLa4Al octahedra. The corner-sharing octahedral tilt angles range from 0-51°. In the second O site, O(2) is bonded to two equivalent La(1), three equivalent La(2), and one Al(1) atom to form distorted OLa5Al octahedra that share corners with five equivalent O(2)La5Al octahedra, corners with twelve equivalent O(3)LiLa4Al octahedra, edges with two equivalent O(2)La5Al octahedra, edges with six equivalent O(1)LiLa5 octahedra, and faces with four equivalent O(3)LiLa4Al 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 Al(1) atom to form distorted OLiLa4Al octahedra that share corners with two equivalent O(3)LiLa4Al octahedra, corners with six equivalent O(2)La5Al octahedra, corners with six equivalent O(1)LiLa5 octahedra, edges with two equivalent O(3)LiLa4Al octahedra, faces with two equivalent O(2)La5Al octahedra, faces with two equivalent O(1)LiLa5 octahedra, and faces with four equivalent O(3)LiLa4Al octahedra. The corner-sharing octahedral tilt angles range from 0-51°.
LiLa4AlO8 is (La,Ba)CuO4-derived structured and crystallizes in the orthorhombic Cmmm space group. Li(1) is bonded to two equivalent O(1) and four equivalent O(3) atoms to form LiO6 octahedra that share corners with four equivalent Al(1)O6 octahedra. The corner-sharing octahedral tilt angles are 1°. Both Li(1)-O(1) bond lengths are 2.29 Å. All Li(1)-O(3) bond lengths are 1.97 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(2), three equivalent O(1), and four equivalent O(3) atoms. Both La(1)-O(2) bond lengths are 2.73 Å. There is one shorter (2.32 Å) and two longer (2.75 Å) La(1)-O(1) bond lengths. All La(1)-O(3) bond lengths are 2.59 Å. In the second La site, La(2) is bonded in a 9-coordinate geometry to two equivalent O(1), three equivalent O(2), and four equivalent O(3) atoms. Both La(2)-O(1) bond lengths are 2.76 Å. There is one shorter (2.46 Å) and two longer (2.73 Å) La(2)-O(2) bond lengths. All La(2)-O(3) bond lengths are 2.56 Å. Al(1) is bonded to two equivalent O(2) and four equivalent O(3) atoms to form AlO6 octahedra that share corners with four equivalent Li(1)O6 octahedra. The corner-sharing octahedral tilt angles are 1°. Both Al(1)-O(2) bond lengths are 2.16 Å. All Al(1)-O(3) bond lengths are 1.84 Å. There are three inequivalent O sites. In the first O site, O(1) 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(1)LiLa5 octahedra, corners with twelve equivalent O(3)LiLa4Al octahedra, edges with two equivalent O(1)LiLa5 octahedra, edges with six equivalent O(2)La5Al octahedra, and faces with four equivalent O(3)LiLa4Al octahedra. The corner-sharing octahedral tilt angles range from 0-51°. In the second O site, O(2) is bonded to two equivalent La(1), three equivalent La(2), and one Al(1) atom to form distorted OLa5Al octahedra that share corners with five equivalent O(2)La5Al octahedra, corners with twelve equivalent O(3)LiLa4Al octahedra, edges with two equivalent O(2)La5Al octahedra, edges with six equivalent O(1)LiLa5 octahedra, and faces with four equivalent O(3)LiLa4Al 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 Al(1) atom to form distorted OLiLa4Al octahedra that share corners with two equivalent O(3)LiLa4Al octahedra, corners with six equivalent O(2)La5Al octahedra, corners with six equivalent O(1)LiLa5 octahedra, edges with two equivalent O(3)LiLa4Al octahedra, faces with two equivalent O(2)La5Al octahedra, faces with two equivalent O(1)LiLa5 octahedra, and faces with four equivalent O(3)LiLa4Al octahedra. The corner-sharing octahedral tilt angles range from 0-51°.