La2LiSbO6 is Orthorhombic Perovskite-derived structured and crystallizes in the monoclinic P2_1/c space group. Li(1) is bonded to two equivalent O(1), two equivalent O(2), and two equivalent O(3) atoms to form LiO6 octahedra that share corners with six equivalent Sb(1)O6 octahedra. The corner-sharing octahedral tilt angles range from 30-33°. La(1) is bonded in a 8-coordinate geometry to two equivalent O(1), three equivalent O(2), and three equivalent O(3) atoms. Sb(1) is bonded to two equivalent O(1), two equivalent O(2), and two equivalent O(3) atoms to form SbO6 octahedra that share corners with six equivalent Li(1)O6 octahedra. The corner-sharing octahedral tilt angles range from 30-33°. There are three inequivalent O sites. In the first O site, O(1) is bonded to one Li(1), two equivalent La(1), and one Sb(1) atom to form distorted corner-sharing OLiLa2Sb tetrahedra. In the second O site, O(2) is bonded in a 5-coordinate geometry to one Li(1), three equivalent La(1), and one Sb(1) atom. In the third O site, O(3) is bonded in a 5-coordinate geometry to one Li(1), three equivalent La(1), and one Sb(1) atom.
La2LiSbO6 is Orthorhombic Perovskite-derived structured and crystallizes in the monoclinic P2_1/c space group. Li(1) is bonded to two equivalent O(1), two equivalent O(2), and two equivalent O(3) atoms to form LiO6 octahedra that share corners with six equivalent Sb(1)O6 octahedra. The corner-sharing octahedral tilt angles range from 30-33°. Both Li(1)-O(1) bond lengths are 2.18 Å. Both Li(1)-O(2) bond lengths are 2.21 Å. Both Li(1)-O(3) bond lengths are 2.20 Å. La(1) is bonded in a 8-coordinate geometry to two equivalent O(1), three equivalent O(2), and three equivalent O(3) atoms. There is one shorter (2.41 Å) and one longer (2.50 Å) La(1)-O(1) bond length. There are a spread of La(1)-O(2) bond distances ranging from 2.43-2.89 Å. There are a spread of La(1)-O(3) bond distances ranging from 2.44-2.83 Å. Sb(1) is bonded to two equivalent O(1), two equivalent O(2), and two equivalent O(3) atoms to form SbO6 octahedra that share corners with six equivalent Li(1)O6 octahedra. The corner-sharing octahedral tilt angles range from 30-33°. Both Sb(1)-O(1) bond lengths are 2.01 Å. Both Sb(1)-O(2) bond lengths are 2.02 Å. Both Sb(1)-O(3) bond lengths are 2.01 Å. There are three inequivalent O sites. In the first O site, O(1) is bonded to one Li(1), two equivalent La(1), and one Sb(1) atom to form distorted corner-sharing OLiLa2Sb tetrahedra. In the second O site, O(2) is bonded in a 5-coordinate geometry to one Li(1), three equivalent La(1), and one Sb(1) atom. In the third O site, O(3) is bonded in a 5-coordinate geometry to one Li(1), three equivalent La(1), and one Sb(1) atom.