YbTiTaO6 crystallizes in the monoclinic P2_1/c space group. Yb(1) is bonded in a 8-coordinate geometry to two equivalent O(1), two equivalent O(2), two equivalent O(3), and two equivalent O(4) atoms. Ti(1) is bonded in a 6-coordinate geometry to one O(1), one O(2), one O(3), one O(6), and two equivalent O(5) atoms. Ta(1) is bonded to one O(1), one O(2), one O(4), one O(5), and two equivalent O(6) atoms to form distorted corner-sharing TaO6 octahedra. The corner-sharing octahedral tilt angles are 53°. There are six inequivalent O sites. In the first O site, O(1) is bonded in a 4-coordinate geometry to two equivalent Yb(1), one Ti(1), and one Ta(1) atom. In the second O site, O(2) is bonded in a 4-coordinate geometry to two equivalent Yb(1), one Ti(1), and one Ta(1) atom. In the third O site, O(3) is bonded in a 3-coordinate geometry to two equivalent Yb(1) and one Ti(1) atom. In the fourth O site, O(4) is bonded in a distorted trigonal non-coplanar geometry to two equivalent Yb(1) and one Ta(1) atom. In the fifth O site, O(5) is bonded in a 3-coordinate geometry to two equivalent Ti(1) and one Ta(1) atom. In the sixth O site, O(6) is bonded in a distorted trigonal planar geometry to one Ti(1) and two equivalent Ta(1) atoms.
YbTiTaO6 crystallizes in the monoclinic P2_1/c space group. Yb(1) is bonded in a 8-coordinate geometry to two equivalent O(1), two equivalent O(2), two equivalent O(3), and two equivalent O(4) atoms. There is one shorter (2.36 Å) and one longer (2.62 Å) Yb(1)-O(1) bond length. There is one shorter (2.34 Å) and one longer (2.58 Å) Yb(1)-O(2) bond length. There is one shorter (2.35 Å) and one longer (2.41 Å) Yb(1)-O(3) bond length. There is one shorter (2.36 Å) and one longer (2.38 Å) Yb(1)-O(4) bond length. Ti(1) is bonded in a 6-coordinate geometry to one O(1), one O(2), one O(3), one O(6), and two equivalent O(5) atoms. The Ti(1)-O(1) bond length is 1.90 Å. The Ti(1)-O(2) bond length is 2.02 Å. The Ti(1)-O(3) bond length is 1.78 Å. The Ti(1)-O(6) bond length is 2.07 Å. There is one shorter (1.95 Å) and one longer (2.35 Å) Ti(1)-O(5) bond length. Ta(1) is bonded to one O(1), one O(2), one O(4), one O(5), and two equivalent O(6) atoms to form distorted corner-sharing TaO6 octahedra. The corner-sharing octahedral tilt angles are 53°. The Ta(1)-O(1) bond length is 2.06 Å. The Ta(1)-O(2) bond length is 1.95 Å. The Ta(1)-O(4) bond length is 1.86 Å. The Ta(1)-O(5) bond length is 2.05 Å. There is one shorter (1.96 Å) and one longer (2.24 Å) Ta(1)-O(6) bond length. There are six inequivalent O sites. In the first O site, O(1) is bonded in a 4-coordinate geometry to two equivalent Yb(1), one Ti(1), and one Ta(1) atom. In the second O site, O(2) is bonded in a 4-coordinate geometry to two equivalent Yb(1), one Ti(1), and one Ta(1) atom. In the third O site, O(3) is bonded in a 3-coordinate geometry to two equivalent Yb(1) and one Ti(1) atom. In the fourth O site, O(4) is bonded in a distorted trigonal non-coplanar geometry to two equivalent Yb(1) and one Ta(1) atom. In the fifth O site, O(5) is bonded in a 3-coordinate geometry to two equivalent Ti(1) and one Ta(1) atom. In the sixth O site, O(6) is bonded in a distorted trigonal planar geometry to one Ti(1) and two equivalent Ta(1) atoms.