Sr2TmTaO6 is Orthorhombic Perovskite-derived structured and crystallizes in the monoclinic P2_1/c space group. Sr(1) is bonded in a 8-coordinate geometry to two equivalent O(1), three equivalent O(2), and three equivalent O(3) atoms. Tm(1) is bonded to two equivalent O(1), two equivalent O(2), and two equivalent O(3) atoms to form TmO6 octahedra that share corners with six equivalent Ta(1)O6 octahedra. The corner-sharing octahedral tilt angles range from 24-25°. Ta(1) is bonded to two equivalent O(1), two equivalent O(2), and two equivalent O(3) atoms to form TaO6 octahedra that share corners with six equivalent Tm(1)O6 octahedra. The corner-sharing octahedral tilt angles range from 24-25°. There are three inequivalent O sites. In the first O site, O(1) is bonded in a 4-coordinate geometry to two equivalent Sr(1), one Tm(1), and one Ta(1) atom. In the second O site, O(2) is bonded in a 5-coordinate geometry to three equivalent Sr(1), one Tm(1), and one Ta(1) atom. In the third O site, O(3) is bonded in a 5-coordinate geometry to three equivalent Sr(1), one Tm(1), and one Ta(1) atom.
Sr2TmTaO6 is Orthorhombic Perovskite-derived structured and crystallizes in the monoclinic P2_1/c space group. 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 (2.53 Å) and one longer (2.68 Å) Sr(1)-O(1) bond length. There are a spread of Sr(1)-O(2) bond distances ranging from 2.56-2.93 Å. There are a spread of Sr(1)-O(3) bond distances ranging from 2.57-2.93 Å. Tm(1) is bonded to two equivalent O(1), two equivalent O(2), and two equivalent O(3) atoms to form TmO6 octahedra that share corners with six equivalent Ta(1)O6 octahedra. The corner-sharing octahedral tilt angles range from 24-25°. Both Tm(1)-O(1) bond lengths are 2.22 Å. Both Tm(1)-O(2) bond lengths are 2.23 Å. Both Tm(1)-O(3) bond lengths are 2.22 Å. Ta(1) is bonded to two equivalent O(1), two equivalent O(2), and two equivalent O(3) atoms to form TaO6 octahedra that share corners with six equivalent Tm(1)O6 octahedra. The corner-sharing octahedral tilt angles range from 24-25°. Both Ta(1)-O(1) bond lengths are 2.01 Å. Both Ta(1)-O(2) bond lengths are 2.02 Å. Both Ta(1)-O(3) bond lengths are 2.01 Å. There are three inequivalent O sites. In the first O site, O(1) is bonded in a 4-coordinate geometry to two equivalent Sr(1), one Tm(1), and one Ta(1) atom. In the second O site, O(2) is bonded in a 5-coordinate geometry to three equivalent Sr(1), one Tm(1), and one Ta(1) atom. In the third O site, O(3) is bonded in a 5-coordinate geometry to three equivalent Sr(1), one Tm(1), and one Ta(1) atom.