LiSr2TeO6 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 Te(1)O6 octahedra. The corner-sharing octahedral tilt angles range from 19-20°. Sr(1) is bonded in a 8-coordinate geometry to two equivalent O(1), three equivalent O(2), and three equivalent O(3) atoms. Te(1) is bonded to two equivalent O(1), two equivalent O(2), and two equivalent O(3) atoms to form TeO6 octahedra that share corners with six equivalent Li(1)O6 octahedra. The corner-sharing octahedral tilt angles range from 19-20°. There are three inequivalent O sites. In the first O site, O(1) is bonded in a 4-coordinate geometry to one Li(1), two equivalent Sr(1), and one Te(1) atom. In the second O site, O(2) is bonded in a 5-coordinate geometry to one Li(1), three equivalent Sr(1), and one Te(1) atom. In the third O site, O(3) is bonded in a 5-coordinate geometry to one Li(1), three equivalent Sr(1), and one Te(1) atom.
LiSr2TeO6 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 Te(1)O6 octahedra. The corner-sharing octahedral tilt angles range from 19-20°. Both Li(1)-O(1) bond lengths are 2.12 Å. Both Li(1)-O(2) bond lengths are 2.20 Å. Both Li(1)-O(3) bond lengths are 2.19 Å. Sr(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 (2.59 Å) and one longer (2.66 Å) Sr(1)-O(1) bond length. There are a spread of Sr(1)-O(2) bond distances ranging from 2.60-2.86 Å. There are a spread of Sr(1)-O(3) bond distances ranging from 2.60-2.79 Å. Te(1) is bonded to two equivalent O(1), two equivalent O(2), and two equivalent O(3) atoms to form TeO6 octahedra that share corners with six equivalent Li(1)O6 octahedra. The corner-sharing octahedral tilt angles range from 19-20°. Both Te(1)-O(1) bond lengths are 1.94 Å. Both Te(1)-O(2) bond lengths are 1.94 Å. Both Te(1)-O(3) bond lengths are 1.95 Å. There are three inequivalent O sites. In the first O site, O(1) is bonded in a 4-coordinate geometry to one Li(1), two equivalent Sr(1), and one Te(1) atom. In the second O site, O(2) is bonded in a 5-coordinate geometry to one Li(1), three equivalent Sr(1), and one Te(1) atom. In the third O site, O(3) is bonded in a 5-coordinate geometry to one Li(1), three equivalent Sr(1), and one Te(1) atom.