Ba2ScIrO6 is (Cubic) Perovskite-derived structured and crystallizes in the cubic Fm-3m space group. Ba(1) is bonded to twelve equivalent O(1) atoms to form BaO12 cuboctahedra that share corners with twelve equivalent Ba(1)O12 cuboctahedra, faces with six equivalent Ba(1)O12 cuboctahedra, faces with four equivalent Sc(1)O6 octahedra, and faces with four equivalent Ir(1)O6 octahedra. Sc(1) is bonded to six equivalent O(1) atoms to form ScO6 octahedra that share corners with six equivalent Ir(1)O6 octahedra and faces with eight equivalent Ba(1)O12 cuboctahedra. The corner-sharing octahedra are not tilted. Ir(1) is bonded to six equivalent O(1) atoms to form IrO6 octahedra that share corners with six equivalent Sc(1)O6 octahedra and faces with eight equivalent Ba(1)O12 cuboctahedra. The corner-sharing octahedra are not tilted. O(1) is bonded to four equivalent Ba(1), one Sc(1), and one Ir(1) atom to form a mixture of distorted edge, corner, and face-sharing OBa4ScIr octahedra. The corner-sharing octahedral tilt angles range from 0-60°.
Ba2ScIrO6 is (Cubic) Perovskite-derived structured and crystallizes in the cubic Fm-3m space group. Ba(1) is bonded to twelve equivalent O(1) atoms to form BaO12 cuboctahedra that share corners with twelve equivalent Ba(1)O12 cuboctahedra, faces with six equivalent Ba(1)O12 cuboctahedra, faces with four equivalent Sc(1)O6 octahedra, and faces with four equivalent Ir(1)O6 octahedra. All Ba(1)-O(1) bond lengths are 2.91 Å. Sc(1) is bonded to six equivalent O(1) atoms to form ScO6 octahedra that share corners with six equivalent Ir(1)O6 octahedra and faces with eight equivalent Ba(1)O12 cuboctahedra. The corner-sharing octahedra are not tilted. All Sc(1)-O(1) bond lengths are 2.12 Å. Ir(1) is bonded to six equivalent O(1) atoms to form IrO6 octahedra that share corners with six equivalent Sc(1)O6 octahedra and faces with eight equivalent Ba(1)O12 cuboctahedra. The corner-sharing octahedra are not tilted. All Ir(1)-O(1) bond lengths are 2.00 Å. O(1) is bonded to four equivalent Ba(1), one Sc(1), and one Ir(1) atom to form a mixture of distorted edge, corner, and face-sharing OBa4ScIr octahedra. The corner-sharing octahedral tilt angles range from 0-60°.