Ba3Ta2CdO9 is (Cubic) Perovskite-derived structured and crystallizes in the trigonal P-3m1 space group. There are two inequivalent Ba sites. In the first Ba site, Ba(1) is bonded to three equivalent O(2) and nine equivalent O(1) atoms to form BaO12 cuboctahedra that share corners with three equivalent Ba(2)O12 cuboctahedra, corners with nine equivalent Ba(1)O12 cuboctahedra, faces with three equivalent Ba(1)O12 cuboctahedra, faces with three equivalent Ba(2)O12 cuboctahedra, faces with three equivalent Cd(1)O6 octahedra, and faces with five equivalent Ta(1)O6 octahedra. In the second Ba site, Ba(2) is bonded to six equivalent O(1) and six equivalent O(2) atoms to form BaO12 cuboctahedra that share corners with six equivalent Ba(1)O12 cuboctahedra, corners with six equivalent Ba(2)O12 cuboctahedra, faces with six equivalent Ba(1)O12 cuboctahedra, faces with two equivalent Cd(1)O6 octahedra, and faces with six equivalent Ta(1)O6 octahedra. Ta(1) is bonded to three equivalent O(1) and three equivalent O(2) atoms to form TaO6 octahedra that share corners with three equivalent Ta(1)O6 octahedra, corners with three equivalent Cd(1)O6 octahedra, faces with three equivalent Ba(2)O12 cuboctahedra, and faces with five equivalent Ba(1)O12 cuboctahedra. The corner-sharing octahedral tilt angles range from 0-4°. Cd(1) is bonded to six equivalent O(1) atoms to form CdO6 octahedra that share corners with six equivalent Ta(1)O6 octahedra, faces with two equivalent Ba(2)O12 cuboctahedra, and faces with six equivalent Ba(1)O12 cuboctahedra. The corner-sharing octahedral tilt angles are 4°. There are two inequivalent O sites. In the first O site, O(1) is bonded in a 6-coordinate geometry to one Ba(2), three equivalent Ba(1), one Ta(1), and one Cd(1) atom. In the second O site, O(2) is bonded in a distorted linear geometry to two equivalent Ba(1), two equivalent Ba(2), and two equivalent Ta(1) atoms.
Ba3Ta2CdO9 is (Cubic) Perovskite-derived structured and crystallizes in the trigonal P-3m1 space group. There are two inequivalent Ba sites. In the first Ba site, Ba(1) is bonded to three equivalent O(2) and nine equivalent O(1) atoms to form BaO12 cuboctahedra that share corners with three equivalent Ba(2)O12 cuboctahedra, corners with nine equivalent Ba(1)O12 cuboctahedra, faces with three equivalent Ba(1)O12 cuboctahedra, faces with three equivalent Ba(2)O12 cuboctahedra, faces with three equivalent Cd(1)O6 octahedra, and faces with five equivalent Ta(1)O6 octahedra. All Ba(1)-O(2) bond lengths are 3.01 Å. There are six shorter (2.98 Å) and three longer (3.06 Å) Ba(1)-O(1) bond lengths. In the second Ba site, Ba(2) is bonded to six equivalent O(1) and six equivalent O(2) atoms to form BaO12 cuboctahedra that share corners with six equivalent Ba(1)O12 cuboctahedra, corners with six equivalent Ba(2)O12 cuboctahedra, faces with six equivalent Ba(1)O12 cuboctahedra, faces with two equivalent Cd(1)O6 octahedra, and faces with six equivalent Ta(1)O6 octahedra. All Ba(2)-O(1) bond lengths are 2.94 Å. All Ba(2)-O(2) bond lengths are 2.98 Å. Ta(1) is bonded to three equivalent O(1) and three equivalent O(2) atoms to form TaO6 octahedra that share corners with three equivalent Ta(1)O6 octahedra, corners with three equivalent Cd(1)O6 octahedra, faces with three equivalent Ba(2)O12 cuboctahedra, and faces with five equivalent Ba(1)O12 cuboctahedra. The corner-sharing octahedral tilt angles range from 0-4°. All Ta(1)-O(1) bond lengths are 1.93 Å. All Ta(1)-O(2) bond lengths are 2.12 Å. Cd(1) is bonded to six equivalent O(1) atoms to form CdO6 octahedra that share corners with six equivalent Ta(1)O6 octahedra, faces with two equivalent Ba(2)O12 cuboctahedra, and faces with six equivalent Ba(1)O12 cuboctahedra. The corner-sharing octahedral tilt angles are 4°. All Cd(1)-O(1) bond lengths are 2.29 Å. There are two inequivalent O sites. In the first O site, O(1) is bonded in a 6-coordinate geometry to one Ba(2), three equivalent Ba(1), one Ta(1), and one Cd(1) atom. In the second O site, O(2) is bonded in a distorted linear geometry to two equivalent Ba(1), two equivalent Ba(2), and two equivalent Ta(1) atoms.