LiLa2OsO6 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 Os(1)O6 octahedra. The corner-sharing octahedral tilt angles range from 28-29°. La(1) is bonded in a 8-coordinate geometry to two equivalent O(2), three equivalent O(1), and three equivalent O(3) atoms. Os(1) is bonded to two equivalent O(1), two equivalent O(2), and two equivalent O(3) atoms to form OsO6 octahedra that share corners with six equivalent Li(1)O6 octahedra. The corner-sharing octahedral tilt angles range from 28-29°. There are three inequivalent O sites. In the first O site, O(1) is bonded in a 5-coordinate geometry to one Li(1), three equivalent La(1), and one Os(1) atom. In the second O site, O(2) is bonded in a 4-coordinate geometry to one Li(1), two equivalent La(1), and one Os(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 Os(1) atom.
LiLa2OsO6 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 Os(1)O6 octahedra. The corner-sharing octahedral tilt angles range from 28-29°. Both Li(1)-O(1) bond lengths are 2.13 Å. Both Li(1)-O(2) bond lengths are 2.08 Å. Both Li(1)-O(3) bond lengths are 2.13 Å. La(1) is bonded in a 8-coordinate geometry to two equivalent O(2), three equivalent O(1), and three equivalent O(3) atoms. There is one shorter (2.41 Å) and one longer (2.49 Å) La(1)-O(2) bond length. There are a spread of La(1)-O(1) bond distances ranging from 2.44-2.76 Å. There are a spread of La(1)-O(3) bond distances ranging from 2.43-2.73 Å. Os(1) is bonded to two equivalent O(1), two equivalent O(2), and two equivalent O(3) atoms to form OsO6 octahedra that share corners with six equivalent Li(1)O6 octahedra. The corner-sharing octahedral tilt angles range from 28-29°. Both Os(1)-O(1) bond lengths are 1.98 Å. Both Os(1)-O(2) bond lengths are 1.97 Å. Both Os(1)-O(3) bond lengths are 1.97 Å. There are three inequivalent O sites. In the first O site, O(1) is bonded in a 5-coordinate geometry to one Li(1), three equivalent La(1), and one Os(1) atom. In the second O site, O(2) is bonded in a 4-coordinate geometry to one Li(1), two equivalent La(1), and one Os(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 Os(1) atom.