Sr2YbTaO6 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(3), three equivalent O(1), and three equivalent O(2) 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 26-29°. 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 26-29°. 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 5-coordinate geometry to three equivalent Sr(1), one Yb(1), and one Ta(1) atom. In the third O site, O(3) is bonded to two equivalent Sr(1), one Yb(1), and one Ta(1) atom to form distorted corner-sharing OSr2YbTa tetrahedra.
Sr2YbTaO6 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(3), three equivalent O(1), and three equivalent O(2) atoms. There is one shorter (2.51 Å) and one longer (2.62 Å) Sr(1)-O(3) bond length. There are a spread of Sr(1)-O(1) bond distances ranging from 2.56-2.92 Å. There are a spread of Sr(1)-O(2) bond distances ranging from 2.55-2.96 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 26-29°. Both Yb(1)-O(1) bond lengths are 2.28 Å. Both Yb(1)-O(2) bond lengths are 2.30 Å. Both Yb(1)-O(3) bond lengths are 2.29 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 26-29°. Both Ta(1)-O(1) bond lengths are 2.00 Å. Both Ta(1)-O(2) bond lengths are 2.01 Å. Both Ta(1)-O(3) bond lengths are 2.00 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 5-coordinate geometry to three equivalent Sr(1), one Yb(1), and one Ta(1) atom. In the third O site, O(3) is bonded to two equivalent Sr(1), one Yb(1), and one Ta(1) atom to form distorted corner-sharing OSr2YbTa tetrahedra.