BaSrSmWO6 crystallizes in the tetragonal P42_12 space group. Ba(1) is bonded in a 8-coordinate geometry to four equivalent O(2) and four equivalent O(3) atoms. Sr(1) is bonded in a 8-coordinate geometry to four equivalent O(1) and four equivalent O(3) atoms. Sm(1) is bonded to one O(1), one O(2), and four equivalent O(3) atoms to form SmO6 octahedra that share corners with six equivalent W(1)O6 octahedra. The corner-sharing octahedral tilt angles range from 0-25°. W(1) is bonded to one O(1), one O(2), and four equivalent O(3) atoms to form WO6 octahedra that share corners with six equivalent Sm(1)O6 octahedra. The corner-sharing octahedral tilt angles range from 0-25°. There are three inequivalent O sites. In the first O site, O(1) is bonded to four equivalent Sr(1), one Sm(1), and one W(1) atom to form distorted OSr4SmW octahedra that share corners with two equivalent O(2)Ba4SmW octahedra, corners with four equivalent O(1)Sr4SmW octahedra, and edges with four equivalent O(1)Sr4SmW octahedra. The corner-sharing octahedral tilt angles range from 0-4°. In the second O site, O(2) is bonded to four equivalent Ba(1), one Sm(1), and one W(1) atom to form distorted OBa4SmW octahedra that share corners with two equivalent O(1)Sr4SmW octahedra, corners with four equivalent O(2)Ba4SmW octahedra, and edges with four equivalent O(2)Ba4SmW octahedra. The corner-sharing octahedral tilt angles range from 0-6°. In the third O site, O(3) is bonded in a 4-coordinate geometry to one Ba(1), one Sr(1), one Sm(1), and one W(1) atom.
BaSrSmWO6 crystallizes in the tetragonal P42_12 space group. Ba(1) is bonded in a 8-coordinate geometry to four equivalent O(2) and four equivalent O(3) atoms. All Ba(1)-O(2) bond lengths are 2.99 Å. All Ba(1)-O(3) bond lengths are 2.81 Å. Sr(1) is bonded in a 8-coordinate geometry to four equivalent O(1) and four equivalent O(3) atoms. All Sr(1)-O(1) bond lengths are 2.99 Å. All Sr(1)-O(3) bond lengths are 2.67 Å. Sm(1) is bonded to one O(1), one O(2), and four equivalent O(3) atoms to form SmO6 octahedra that share corners with six equivalent W(1)O6 octahedra. The corner-sharing octahedral tilt angles range from 0-25°. The Sm(1)-O(1) bond length is 2.26 Å. The Sm(1)-O(2) bond length is 2.35 Å. All Sm(1)-O(3) bond lengths are 2.31 Å. W(1) is bonded to one O(1), one O(2), and four equivalent O(3) atoms to form WO6 octahedra that share corners with six equivalent Sm(1)O6 octahedra. The corner-sharing octahedral tilt angles range from 0-25°. The W(1)-O(1) bond length is 2.00 Å. The W(1)-O(2) bond length is 2.08 Å. All W(1)-O(3) bond lengths are 2.00 Å. There are three inequivalent O sites. In the first O site, O(1) is bonded to four equivalent Sr(1), one Sm(1), and one W(1) atom to form distorted OSr4SmW octahedra that share corners with two equivalent O(2)Ba4SmW octahedra, corners with four equivalent O(1)Sr4SmW octahedra, and edges with four equivalent O(1)Sr4SmW octahedra. The corner-sharing octahedral tilt angles range from 0-4°. In the second O site, O(2) is bonded to four equivalent Ba(1), one Sm(1), and one W(1) atom to form distorted OBa4SmW octahedra that share corners with two equivalent O(1)Sr4SmW octahedra, corners with four equivalent O(2)Ba4SmW octahedra, and edges with four equivalent O(2)Ba4SmW octahedra. The corner-sharing octahedral tilt angles range from 0-6°. In the third O site, O(3) is bonded in a 4-coordinate geometry to one Ba(1), one Sr(1), one Sm(1), and one W(1) atom.