Ba2SmWO6 crystallizes in the cubic Pn-3 space group. There are two inequivalent Ba sites. In the first Ba site, Ba(1) is bonded to twelve equivalent O(1) atoms to form BaO12 cuboctahedra that share corners with twelve equivalent Ba(2)O12 cuboctahedra, faces with six equivalent Ba(2)O12 cuboctahedra, faces with four equivalent Sm(1)O6 octahedra, and faces with four equivalent W(1)O6 octahedra. In the second Ba site, Ba(2) is bonded to twelve equivalent O(1) atoms to form distorted BaO12 cuboctahedra that share corners with four equivalent Ba(1)O12 cuboctahedra, corners with eight equivalent Ba(2)O12 cuboctahedra, faces with two equivalent Ba(1)O12 cuboctahedra, faces with four equivalent Ba(2)O12 cuboctahedra, faces with four equivalent Sm(1)O6 octahedra, and faces with four equivalent W(1)O6 octahedra. Sm(1) is bonded to six equivalent O(1) atoms to form SmO6 octahedra that share corners with six equivalent W(1)O6 octahedra, faces with two equivalent Ba(1)O12 cuboctahedra, and faces with six equivalent Ba(2)O12 cuboctahedra. The corner-sharing octahedral tilt angles are 10°. W(1) is bonded to six equivalent O(1) atoms to form WO6 octahedra that share corners with six equivalent Sm(1)O6 octahedra, faces with two equivalent Ba(1)O12 cuboctahedra, and faces with six equivalent Ba(2)O12 cuboctahedra. The corner-sharing octahedral tilt angles are 10°. O(1) is bonded in a 6-coordinate geometry to one Ba(1), three equivalent Ba(2), one Sm(1), and one W(1) atom.
Ba2SmWO6 crystallizes in the cubic Pn-3 space group. There are two inequivalent Ba sites. In the first Ba site, Ba(1) is bonded to twelve equivalent O(1) atoms to form BaO12 cuboctahedra that share corners with twelve equivalent Ba(2)O12 cuboctahedra, faces with six equivalent Ba(2)O12 cuboctahedra, faces with four equivalent Sm(1)O6 octahedra, and faces with four equivalent W(1)O6 octahedra. All Ba(1)-O(1) bond lengths are 3.08 Å. In the second Ba site, Ba(2) is bonded to twelve equivalent O(1) atoms to form distorted BaO12 cuboctahedra that share corners with four equivalent Ba(1)O12 cuboctahedra, corners with eight equivalent Ba(2)O12 cuboctahedra, faces with two equivalent Ba(1)O12 cuboctahedra, faces with four equivalent Ba(2)O12 cuboctahedra, faces with four equivalent Sm(1)O6 octahedra, and faces with four equivalent W(1)O6 octahedra. There are a spread of Ba(2)-O(1) bond distances ranging from 2.87-3.24 Å. Sm(1) is bonded to six equivalent O(1) atoms to form SmO6 octahedra that share corners with six equivalent W(1)O6 octahedra, faces with two equivalent Ba(1)O12 cuboctahedra, and faces with six equivalent Ba(2)O12 cuboctahedra. The corner-sharing octahedral tilt angles are 10°. All Sm(1)-O(1) bond lengths are 2.31 Å. W(1) is bonded to six equivalent O(1) atoms to form WO6 octahedra that share corners with six equivalent Sm(1)O6 octahedra, faces with two equivalent Ba(1)O12 cuboctahedra, and faces with six equivalent Ba(2)O12 cuboctahedra. The corner-sharing octahedral tilt angles are 10°. All W(1)-O(1) bond lengths are 2.02 Å. O(1) is bonded in a 6-coordinate geometry to one Ba(1), three equivalent Ba(2), one Sm(1), and one W(1) atom.