Ba2SmSeO6 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 Sm(1)O6 octahedra, and faces with four equivalent Se(1)O6 octahedra. Sm(1) is bonded to six equivalent O(1) atoms to form SmO6 octahedra that share corners with six equivalent Se(1)O6 octahedra and faces with eight equivalent Ba(1)O12 cuboctahedra. The corner-sharing octahedra are not tilted. Se(1) is bonded to six equivalent O(1) atoms to form SeO6 octahedra that share corners with six equivalent Sm(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 Sm(1), and one Se(1) atom to form a mixture of distorted edge, corner, and face-sharing OBa4SmSe octahedra. The corner-sharing octahedral tilt angles range from 0-60°.
Ba2SmSeO6 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 Sm(1)O6 octahedra, and faces with four equivalent Se(1)O6 octahedra. All Ba(1)-O(1) bond lengths are 3.01 Å. Sm(1) is bonded to six equivalent O(1) atoms to form SmO6 octahedra that share corners with six equivalent Se(1)O6 octahedra and faces with eight equivalent Ba(1)O12 cuboctahedra. The corner-sharing octahedra are not tilted. All Sm(1)-O(1) bond lengths are 2.29 Å. Se(1) is bonded to six equivalent O(1) atoms to form SeO6 octahedra that share corners with six equivalent Sm(1)O6 octahedra and faces with eight equivalent Ba(1)O12 cuboctahedra. The corner-sharing octahedra are not tilted. All Se(1)-O(1) bond lengths are 1.97 Å. O(1) is bonded to four equivalent Ba(1), one Sm(1), and one Se(1) atom to form a mixture of distorted edge, corner, and face-sharing OBa4SmSe octahedra. The corner-sharing octahedral tilt angles range from 0-60°.