Ba2AgO6I 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 Ag(1)O6 octahedra, and faces with four equivalent I(1)O6 octahedra. Ag(1) is bonded to six equivalent O(1) atoms to form AgO6 octahedra that share corners with six equivalent I(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 Ag(1), and one I(1) atom to form a mixture of distorted edge, face, and corner-sharing OBa4AgI octahedra. The corner-sharing octahedral tilt angles range from 0-60°. I(1) is bonded to six equivalent O(1) atoms to form IO6 octahedra that share corners with six equivalent Ag(1)O6 octahedra and faces with eight equivalent Ba(1)O12 cuboctahedra. The corner-sharing octahedra are not tilted.
Ba2AgO6I 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 Ag(1)O6 octahedra, and faces with four equivalent I(1)O6 octahedra. All Ba(1)-O(1) bond lengths are 3.04 Å. Ag(1) is bonded to six equivalent O(1) atoms to form AgO6 octahedra that share corners with six equivalent I(1)O6 octahedra and faces with eight equivalent Ba(1)O12 cuboctahedra. The corner-sharing octahedra are not tilted. All Ag(1)-O(1) bond lengths are 2.36 Å. O(1) is bonded to four equivalent Ba(1), one Ag(1), and one I(1) atom to form a mixture of distorted edge, face, and corner-sharing OBa4AgI octahedra. The corner-sharing octahedral tilt angles range from 0-60°. The O(1)-I(1) bond length is 1.92 Å. I(1) is bonded to six equivalent O(1) atoms to form IO6 octahedra that share corners with six equivalent Ag(1)O6 octahedra and faces with eight equivalent Ba(1)O12 cuboctahedra. The corner-sharing octahedra are not tilted.