BaSmTi4O12 crystallizes in the tetragonal P4/mmm space group. Ba(1) is bonded to four equivalent O(3) and eight equivalent O(1) atoms to form BaO12 cuboctahedra that share corners with four equivalent Ba(1)O12 cuboctahedra, corners with eight equivalent Sm(1)O12 cuboctahedra, and faces with eight equivalent Ti(1)O6 octahedra. Sm(1) is bonded to four equivalent O(2) and eight equivalent O(1) atoms to form SmO12 cuboctahedra that share corners with four equivalent Sm(1)O12 cuboctahedra, corners with eight equivalent Ba(1)O12 cuboctahedra, and faces with eight equivalent Ti(1)O6 octahedra. Ti(1) is bonded to one O(2), one O(3), and four equivalent O(1) atoms to form TiO6 octahedra that share corners with six equivalent Ti(1)O6 octahedra, faces with two equivalent Ba(1)O12 cuboctahedra, and faces with two equivalent Sm(1)O12 cuboctahedra. The corner-sharing octahedral tilt angles range from 0-7°. There are three inequivalent O sites. In the first O site, O(1) is bonded in a distorted linear geometry to one Ba(1), one Sm(1), and two equivalent Ti(1) atoms. In the second O site, O(2) is bonded in a distorted linear geometry to two equivalent Sm(1) and two equivalent Ti(1) atoms. In the third O site, O(3) is bonded in a distorted square co-planar geometry to two equivalent Ba(1) and two equivalent Ti(1) atoms.
BaSmTi4O12 crystallizes in the tetragonal P4/mmm space group. Ba(1) is bonded to four equivalent O(3) and eight equivalent O(1) atoms to form BaO12 cuboctahedra that share corners with four equivalent Ba(1)O12 cuboctahedra, corners with eight equivalent Sm(1)O12 cuboctahedra, and faces with eight equivalent Ti(1)O6 octahedra. All Ba(1)-O(3) bond lengths are 2.77 Å. All Ba(1)-O(1) bond lengths are 2.89 Å. Sm(1) is bonded to four equivalent O(2) and eight equivalent O(1) atoms to form SmO12 cuboctahedra that share corners with four equivalent Sm(1)O12 cuboctahedra, corners with eight equivalent Ba(1)O12 cuboctahedra, and faces with eight equivalent Ti(1)O6 octahedra. All Sm(1)-O(2) bond lengths are 2.77 Å. All Sm(1)-O(1) bond lengths are 2.64 Å. Ti(1) is bonded to one O(2), one O(3), and four equivalent O(1) atoms to form TiO6 octahedra that share corners with six equivalent Ti(1)O6 octahedra, faces with two equivalent Ba(1)O12 cuboctahedra, and faces with two equivalent Sm(1)O12 cuboctahedra. The corner-sharing octahedral tilt angles range from 0-7°. The Ti(1)-O(2) bond length is 1.94 Å. The Ti(1)-O(3) bond length is 1.95 Å. All Ti(1)-O(1) bond lengths are 1.96 Å. There are three inequivalent O sites. In the first O site, O(1) is bonded in a distorted linear geometry to one Ba(1), one Sm(1), and two equivalent Ti(1) atoms. In the second O site, O(2) is bonded in a distorted linear geometry to two equivalent Sm(1) and two equivalent Ti(1) atoms. In the third O site, O(3) is bonded in a distorted square co-planar geometry to two equivalent Ba(1) and two equivalent Ti(1) atoms.