Ba4NaSb3O12 is (Cubic) Perovskite-derived structured and crystallizes in the cubic Im-3m space group. Na(1) is bonded to six equivalent O(1) atoms to form NaO6 octahedra that share corners with six equivalent Sb(1)O6 octahedra and faces with eight equivalent Ba(1)O12 cuboctahedra. The corner-sharing octahedra are not tilted. Ba(1) is bonded to six equivalent O(1) and six equivalent O(2) 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 two equivalent Na(1)O6 octahedra, and faces with six equivalent Sb(1)O6 octahedra. Sb(1) is bonded to two equivalent O(1) and four equivalent O(2) atoms to form SbO6 octahedra that share corners with two equivalent Na(1)O6 octahedra, corners with four equivalent Sb(1)O6 octahedra, and faces with eight equivalent Ba(1)O12 cuboctahedra. The corner-sharing octahedra are not tilted. There are two inequivalent O sites. In the first O site, O(1) is bonded in a distorted linear geometry to one Na(1), four equivalent Ba(1), and one Sb(1) atom. In the second O site, O(2) is bonded to four equivalent Ba(1) and two equivalent Sb(1) atoms to form a mixture of distorted corner and face-sharing OBa4Sb2 octahedra. The corner-sharing octahedral tilt angles range from 0-60°.
Ba4NaSb3O12 is (Cubic) Perovskite-derived structured and crystallizes in the cubic Im-3m space group. Na(1) is bonded to six equivalent O(1) atoms to form NaO6 octahedra that share corners with six equivalent Sb(1)O6 octahedra and faces with eight equivalent Ba(1)O12 cuboctahedra. The corner-sharing octahedra are not tilted. All Na(1)-O(1) bond lengths are 2.29 Å. Ba(1) is bonded to six equivalent O(1) and six equivalent O(2) 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 two equivalent Na(1)O6 octahedra, and faces with six equivalent Sb(1)O6 octahedra. All Ba(1)-O(1) bond lengths are 2.98 Å. All Ba(1)-O(2) bond lengths are 2.97 Å. Sb(1) is bonded to two equivalent O(1) and four equivalent O(2) atoms to form SbO6 octahedra that share corners with two equivalent Na(1)O6 octahedra, corners with four equivalent Sb(1)O6 octahedra, and faces with eight equivalent Ba(1)O12 cuboctahedra. The corner-sharing octahedra are not tilted. Both Sb(1)-O(1) bond lengths are 1.92 Å. All Sb(1)-O(2) bond lengths are 2.10 Å. There are two inequivalent O sites. In the first O site, O(1) is bonded in a distorted linear geometry to one Na(1), four equivalent Ba(1), and one Sb(1) atom. In the second O site, O(2) is bonded to four equivalent Ba(1) and two equivalent Sb(1) atoms to form a mixture of distorted corner and face-sharing OBa4Sb2 octahedra. The corner-sharing octahedral tilt angles range from 0-60°.