Sr2YbTaO6 is Orthorhombic Perovskite-derived structured and crystallizes in the orthorhombic Pnn2 space group. Sr(1) is bonded in a 9-coordinate geometry to three equivalent O(1), three equivalent O(2), and three equivalent O(3) atoms. Yb(1) is bonded to two equivalent O(1), two equivalent O(2), and two equivalent O(3) atoms to form YbO6 octahedra that share corners with six equivalent Ta(1)O6 octahedra. The corner-sharing octahedral tilt angles range from 14-24°. 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 Yb(1)O6 octahedra. The corner-sharing octahedral tilt angles range from 14-24°. There are three inequivalent O sites. In the first O site, O(1) is bonded in a 5-coordinate geometry to three equivalent Sr(1), one Yb(1), and one Ta(1) atom. In the second O site, O(2) is bonded in a 4-coordinate geometry to three equivalent Sr(1), one Yb(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 Yb(1), and one Ta(1) atom.
Sr2YbTaO6 is Orthorhombic Perovskite-derived structured and crystallizes in the orthorhombic Pnn2 space group. Sr(1) is bonded in a 9-coordinate geometry to three equivalent O(1), three equivalent O(2), and three equivalent O(3) atoms. There are a spread of Sr(1)-O(1) bond distances ranging from 2.61-3.03 Å. There are a spread of Sr(1)-O(2) bond distances ranging from 2.60-3.20 Å. There are a spread of Sr(1)-O(3) bond distances ranging from 2.73-3.07 Å. Yb(1) is bonded to two equivalent O(1), two equivalent O(2), and two equivalent O(3) atoms to form YbO6 octahedra that share corners with six equivalent Ta(1)O6 octahedra. The corner-sharing octahedral tilt angles range from 14-24°. Both Yb(1)-O(1) bond lengths are 2.26 Å. Both Yb(1)-O(2) bond lengths are 2.30 Å. Both Yb(1)-O(3) bond lengths are 2.24 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 Yb(1)O6 octahedra. The corner-sharing octahedral tilt angles range from 14-24°. Both Ta(1)-O(1) bond lengths are 2.00 Å. Both Ta(1)-O(2) bond lengths are 2.06 Å. Both Ta(1)-O(3) bond lengths are 1.94 Å. There are three inequivalent O sites. In the first O site, O(1) is bonded in a 5-coordinate geometry to three equivalent Sr(1), one Yb(1), and one Ta(1) atom. In the second O site, O(2) is bonded in a 4-coordinate geometry to three equivalent Sr(1), one Yb(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 Yb(1), and one Ta(1) atom.