BaSrSmSbO6 is Orthorhombic Perovskite-derived structured and crystallizes in the triclinic P-1 space group. Ba(1) is bonded in a 9-coordinate geometry to one O(2), one O(3), one O(5), two equivalent O(1), two equivalent O(4), and two equivalent O(6) atoms. Sr(1) is bonded in a 8-coordinate geometry to one O(1), one O(4), one O(5), one O(6), two equivalent O(2), and two equivalent O(3) atoms. There are two inequivalent Sm sites. In the first Sm site, Sm(1) is bonded to two equivalent O(1), two equivalent O(3), and two equivalent O(5) atoms to form SmO6 octahedra that share corners with two equivalent Sb(2)O6 octahedra and corners with four equivalent Sb(1)O6 octahedra. The corner-sharing octahedral tilt angles range from 18-22°. In the second Sm site, Sm(2) is bonded to two equivalent O(2), two equivalent O(4), and two equivalent O(6) atoms to form SmO6 octahedra that share corners with two equivalent Sb(1)O6 octahedra and corners with four equivalent Sb(2)O6 octahedra. The corner-sharing octahedral tilt angles range from 16-23°. There are two inequivalent Sb sites. In the first Sb site, Sb(1) is bonded to two equivalent O(1), two equivalent O(3), and two equivalent O(6) atoms to form SbO6 octahedra that share corners with two equivalent Sm(2)O6 octahedra and corners with four equivalent Sm(1)O6 octahedra. The corner-sharing octahedral tilt angles range from 18-23°. In the second Sb site, Sb(2) is bonded to two equivalent O(2), two equivalent O(4), and two equivalent O(5) atoms to form SbO6 octahedra that share corners with two equivalent Sm(1)O6 octahedra and corners with four equivalent Sm(2)O6 octahedra. The corner-sharing octahedral tilt angles range from 16-23°. There are six inequivalent O sites. In the first O site, O(1) is bonded in a 5-coordinate geometry to two equivalent Ba(1), one Sr(1), one Sm(1), and one Sb(1) atom. In the second O site, O(2) is bonded in a 5-coordinate geometry to one Ba(1), two equivalent Sr(1), one Sm(2), and one Sb(2) atom. In the third O site, O(3) is bonded in a 5-coordinate geometry to one Ba(1), two equivalent Sr(1), one Sm(1), and one Sb(1) atom. In the fourth O site, O(4) is bonded in a 5-coordinate geometry to two equivalent Ba(1), one Sr(1), one Sm(2), and one Sb(2) atom. In the fifth O site, O(5) is bonded in a 4-coordinate geometry to one Ba(1), one Sr(1), one Sm(1), and one Sb(2) atom. In the sixth O site, O(6) is bonded in a 5-coordinate geometry to two equivalent Ba(1), one Sr(1), one Sm(2), and one Sb(1) atom.
BaSrSmSbO6 is Orthorhombic Perovskite-derived structured and crystallizes in the triclinic P-1 space group. Ba(1) is bonded in a 9-coordinate geometry to one O(2), one O(3), one O(5), two equivalent O(1), two equivalent O(4), and two equivalent O(6) atoms. The Ba(1)-O(2) bond length is 2.95 Å. The Ba(1)-O(3) bond length is 2.92 Å. The Ba(1)-O(5) bond length is 2.74 Å. There is one shorter (2.72 Å) and one longer (3.03 Å) Ba(1)-O(1) bond length. There is one shorter (2.75 Å) and one longer (2.99 Å) Ba(1)-O(4) bond length. There is one shorter (2.95 Å) and one longer (3.16 Å) Ba(1)-O(6) bond length. Sr(1) is bonded in a 8-coordinate geometry to one O(1), one O(4), one O(5), one O(6), two equivalent O(2), and two equivalent O(3) atoms. The Sr(1)-O(1) bond length is 2.91 Å. The Sr(1)-O(4) bond length is 2.92 Å. The Sr(1)-O(5) bond length is 2.69 Å. The Sr(1)-O(6) bond length is 2.62 Å. There is one shorter (2.67 Å) and one longer (2.98 Å) Sr(1)-O(2) bond length. There is one shorter (2.68 Å) and one longer (3.08 Å) Sr(1)-O(3) bond length. There are two inequivalent Sm sites. In the first Sm site, Sm(1) is bonded to two equivalent O(1), two equivalent O(3), and two equivalent O(5) atoms to form SmO6 octahedra that share corners with two equivalent Sb(2)O6 octahedra and corners with four equivalent Sb(1)O6 octahedra. The corner-sharing octahedral tilt angles range from 18-22°. Both Sm(1)-O(1) bond lengths are 2.30 Å. Both Sm(1)-O(3) bond lengths are 2.32 Å. Both Sm(1)-O(5) bond lengths are 2.30 Å. In the second Sm site, Sm(2) is bonded to two equivalent O(2), two equivalent O(4), and two equivalent O(6) atoms to form SmO6 octahedra that share corners with two equivalent Sb(1)O6 octahedra and corners with four equivalent Sb(2)O6 octahedra. The corner-sharing octahedral tilt angles range from 16-23°. Both Sm(2)-O(2) bond lengths are 2.32 Å. Both Sm(2)-O(4) bond lengths are 2.29 Å. Both Sm(2)-O(6) bond lengths are 2.32 Å. There are two inequivalent Sb sites. In the first Sb site, Sb(1) is bonded to two equivalent O(1), two equivalent O(3), and two equivalent O(6) atoms to form SbO6 octahedra that share corners with two equivalent Sm(2)O6 octahedra and corners with four equivalent Sm(1)O6 octahedra. The corner-sharing octahedral tilt angles range from 18-23°. Both Sb(1)-O(1) bond lengths are 2.02 Å. Both Sb(1)-O(3) bond lengths are 2.03 Å. Both Sb(1)-O(6) bond lengths are 2.03 Å. In the second Sb site, Sb(2) is bonded to two equivalent O(2), two equivalent O(4), and two equivalent O(5) atoms to form SbO6 octahedra that share corners with two equivalent Sm(1)O6 octahedra and corners with four equivalent Sm(2)O6 octahedra. The corner-sharing octahedral tilt angles range from 16-23°. Both Sb(2)-O(2) bond lengths are 2.03 Å. Both Sb(2)-O(4) bond lengths are 2.01 Å. Both Sb(2)-O(5) bond lengths are 2.02 Å. There are six inequivalent O sites. In the first O site, O(1) is bonded in a 5-coordinate geometry to two equivalent Ba(1), one Sr(1), one Sm(1), and one Sb(1) atom. In the second O site, O(2) is bonded in a 5-coordinate geometry to one Ba(1), two equivalent Sr(1), one Sm(2), and one Sb(2) atom. In the third O site, O(3) is bonded in a 5-coordinate geometry to one Ba(1), two equivalent Sr(1), one Sm(1), and one Sb(1) atom. In the fourth O site, O(4) is bonded in a 5-coordinate geometry to two equivalent Ba(1), one Sr(1), one Sm(2), and one Sb(2) atom. In the fifth O site, O(5) is bonded in a 4-coordinate geometry to one Ba(1), one Sr(1), one Sm(1), and one Sb(2) atom. In the sixth O site, O(6) is bonded in a 5-coordinate geometry to two equivalent Ba(1), one Sr(1), one Sm(2), and one Sb(1) atom.