BaSrTbTiO6 crystallizes in the triclinic P-1 space group. Ba(1) is bonded to two equivalent O(1), two equivalent O(2), two equivalent O(3), two equivalent O(4), two equivalent O(5), and two equivalent O(6) atoms to form distorted BaO12 cuboctahedra that share corners with four equivalent Ba(1)O12 cuboctahedra, corners with eight equivalent Sr(1)O12 cuboctahedra, faces with two equivalent Ba(1)O12 cuboctahedra, faces with four equivalent Sr(1)O12 cuboctahedra, faces with two equivalent Tb(1)O6 octahedra, faces with two equivalent Tb(2)O6 octahedra, faces with two equivalent Ti(1)O6 octahedra, and faces with two equivalent Ti(2)O6 octahedra. Sr(1) is bonded to two equivalent O(1), two equivalent O(2), two equivalent O(3), two equivalent O(4), two equivalent O(5), and two equivalent O(6) atoms to form distorted SrO12 cuboctahedra that share corners with four equivalent Sr(1)O12 cuboctahedra, corners with eight equivalent Ba(1)O12 cuboctahedra, faces with two equivalent Sr(1)O12 cuboctahedra, faces with four equivalent Ba(1)O12 cuboctahedra, faces with two equivalent Tb(1)O6 octahedra, faces with two equivalent Tb(2)O6 octahedra, faces with two equivalent Ti(1)O6 octahedra, and faces with two equivalent Ti(2)O6 octahedra. There are two inequivalent Tb sites. In the first Tb site, Tb(1) is bonded to two equivalent O(1), two equivalent O(3), and two equivalent O(6) atoms to form TbO6 octahedra that share corners with two equivalent Ti(2)O6 octahedra, corners with four equivalent Ti(1)O6 octahedra, faces with four equivalent Ba(1)O12 cuboctahedra, and faces with four equivalent Sr(1)O12 cuboctahedra. The corner-sharing octahedral tilt angles range from 8-11°. In the second Tb site, Tb(2) is bonded to two equivalent O(2), two equivalent O(4), and two equivalent O(5) atoms to form TbO6 octahedra that share corners with two equivalent Ti(1)O6 octahedra, corners with four equivalent Ti(2)O6 octahedra, faces with four equivalent Ba(1)O12 cuboctahedra, and faces with four equivalent Sr(1)O12 cuboctahedra. The corner-sharing octahedral tilt angles range from 8-11°. There are two inequivalent Ti sites. In the first Ti site, Ti(1) is bonded to two equivalent O(1), two equivalent O(3), and two equivalent O(5) atoms to form TiO6 octahedra that share corners with two equivalent Tb(2)O6 octahedra, corners with four equivalent Tb(1)O6 octahedra, faces with four equivalent Ba(1)O12 cuboctahedra, and faces with four equivalent Sr(1)O12 cuboctahedra. The corner-sharing octahedral tilt angles range from 8-11°. In the second Ti site, Ti(2) is bonded to two equivalent O(2), two equivalent O(4), and two equivalent O(6) atoms to form TiO6 octahedra that share corners with two equivalent Tb(1)O6 octahedra, corners with four equivalent Tb(2)O6 octahedra, faces with four equivalent Ba(1)O12 cuboctahedra, and faces with four equivalent Sr(1)O12 cuboctahedra. The corner-sharing octahedral tilt angles range from 8-11°. There are six inequivalent O sites. In the first O site, O(1) is bonded in a 2-coordinate geometry to two equivalent Ba(1), two equivalent Sr(1), one Tb(1), and one Ti(1) atom. In the second O site, O(2) is bonded in a 2-coordinate geometry to two equivalent Ba(1), two equivalent Sr(1), one Tb(2), and one Ti(2) atom. In the third O site, O(3) is bonded in a 2-coordinate geometry to two equivalent Ba(1), two equivalent Sr(1), one Tb(1), and one Ti(1) atom. In the fourth O site, O(4) is bonded in a 2-coordinate geometry to two equivalent Ba(1), two equivalent Sr(1), one Tb(2), and one Ti(2) atom. In the fifth O site, O(5) is bonded in a 2-coordinate geometry to two equivalent Ba(1), two equivalent Sr(1), one Tb(2), and one Ti(1) atom. In the sixth O site, O(6) is bonded in a 2-coordinate geometry to two equivalent Ba(1), two equivalent Sr(1), one Tb(1), and one Ti(2) atom.
BaSrTbTiO6 crystallizes in the triclinic P-1 space group. Ba(1) is bonded to two equivalent O(1), two equivalent O(2), two equivalent O(3), two equivalent O(4), two equivalent O(5), and two equivalent O(6) atoms to form distorted BaO12 cuboctahedra that share corners with four equivalent Ba(1)O12 cuboctahedra, corners with eight equivalent Sr(1)O12 cuboctahedra, faces with two equivalent Ba(1)O12 cuboctahedra, faces with four equivalent Sr(1)O12 cuboctahedra, faces with two equivalent Tb(1)O6 octahedra, faces with two equivalent Tb(2)O6 octahedra, faces with two equivalent Ti(1)O6 octahedra, and faces with two equivalent Ti(2)O6 octahedra. There is one shorter (2.99 Å) and one longer (3.19 Å) Ba(1)-O(1) bond length. There is one shorter (2.84 Å) and one longer (3.00 Å) Ba(1)-O(2) bond length. There is one shorter (2.84 Å) and one longer (3.00 Å) Ba(1)-O(3) bond length. There is one shorter (2.99 Å) and one longer (3.19 Å) Ba(1)-O(4) bond length. There is one shorter (2.96 Å) and one longer (3.01 Å) Ba(1)-O(5) bond length. There is one shorter (2.84 Å) and one longer (3.13 Å) Ba(1)-O(6) bond length. Sr(1) is bonded to two equivalent O(1), two equivalent O(2), two equivalent O(3), two equivalent O(4), two equivalent O(5), and two equivalent O(6) atoms to form distorted SrO12 cuboctahedra that share corners with four equivalent Sr(1)O12 cuboctahedra, corners with eight equivalent Ba(1)O12 cuboctahedra, faces with two equivalent Sr(1)O12 cuboctahedra, faces with four equivalent Ba(1)O12 cuboctahedra, faces with two equivalent Tb(1)O6 octahedra, faces with two equivalent Tb(2)O6 octahedra, faces with two equivalent Ti(1)O6 octahedra, and faces with two equivalent Ti(2)O6 octahedra. There is one shorter (2.79 Å) and one longer (2.97 Å) Sr(1)-O(1) bond length. There is one shorter (2.95 Å) and one longer (3.14 Å) Sr(1)-O(2) bond length. There is one shorter (2.95 Å) and one longer (3.15 Å) Sr(1)-O(3) bond length. There is one shorter (2.80 Å) and one longer (2.95 Å) Sr(1)-O(4) bond length. There is one shorter (2.79 Å) and one longer (3.18 Å) Sr(1)-O(5) bond length. There is one shorter (2.94 Å) and one longer (3.02 Å) Sr(1)-O(6) bond length. There are two inequivalent Tb sites. In the first Tb site, Tb(1) is bonded to two equivalent O(1), two equivalent O(3), and two equivalent O(6) atoms to form TbO6 octahedra that share corners with two equivalent Ti(2)O6 octahedra, corners with four equivalent Ti(1)O6 octahedra, faces with four equivalent Ba(1)O12 cuboctahedra, and faces with four equivalent Sr(1)O12 cuboctahedra. The corner-sharing octahedral tilt angles range from 8-11°. Both Tb(1)-O(1) bond lengths are 2.25 Å. Both Tb(1)-O(3) bond lengths are 2.25 Å. Both Tb(1)-O(6) bond lengths are 2.25 Å. In the second Tb site, Tb(2) is bonded to two equivalent O(2), two equivalent O(4), and two equivalent O(5) atoms to form TbO6 octahedra that share corners with two equivalent Ti(1)O6 octahedra, corners with four equivalent Ti(2)O6 octahedra, faces with four equivalent Ba(1)O12 cuboctahedra, and faces with four equivalent Sr(1)O12 cuboctahedra. The corner-sharing octahedral tilt angles range from 8-11°. Both Tb(2)-O(2) bond lengths are 2.25 Å. Both Tb(2)-O(4) bond lengths are 2.25 Å. Both Tb(2)-O(5) bond lengths are 2.25 Å. There are two inequivalent Ti sites. In the first Ti site, Ti(1) is bonded to two equivalent O(1), two equivalent O(3), and two equivalent O(5) atoms to form TiO6 octahedra that share corners with two equivalent Tb(2)O6 octahedra, corners with four equivalent Tb(1)O6 octahedra, faces with four equivalent Ba(1)O12 cuboctahedra, and faces with four equivalent Sr(1)O12 cuboctahedra. The corner-sharing octahedral tilt angles range from 8-11°. Both Ti(1)-O(1) bond lengths are 1.98 Å. Both Ti(1)-O(3) bond lengths are 1.97 Å. Both Ti(1)-O(5) bond lengths are 1.98 Å. In the second Ti site, Ti(2) is bonded to two equivalent O(2), two equivalent O(4), and two equivalent O(6) atoms to form TiO6 octahedra that share corners with two equivalent Tb(1)O6 octahedra, corners with four equivalent Tb(2)O6 octahedra, faces with four equivalent Ba(1)O12 cuboctahedra, and faces with four equivalent Sr(1)O12 cuboctahedra. The corner-sharing octahedral tilt angles range from 8-11°. Both Ti(2)-O(2) bond lengths are 1.97 Å. Both Ti(2)-O(4) bond lengths are 1.98 Å. Both Ti(2)-O(6) bond lengths are 1.98 Å. There are six inequivalent O sites. In the first O site, O(1) is bonded in a 2-coordinate geometry to two equivalent Ba(1), two equivalent Sr(1), one Tb(1), and one Ti(1) atom. In the second O site, O(2) is bonded in a 2-coordinate geometry to two equivalent Ba(1), two equivalent Sr(1), one Tb(2), and one Ti(2) atom. In the third O site, O(3) is bonded in a 2-coordinate geometry to two equivalent Ba(1), two equivalent Sr(1), one Tb(1), and one Ti(1) atom. In the fourth O site, O(4) is bonded in a 2-coordinate geometry to two equivalent Ba(1), two equivalent Sr(1), one Tb(2), and one Ti(2) atom. In the fifth O site, O(5) is bonded in a 2-coordinate geometry to two equivalent Ba(1), two equivalent Sr(1), one Tb(2), and one Ti(1) atom. In the sixth O site, O(6) is bonded in a 2-coordinate geometry to two equivalent Ba(1), two equivalent Sr(1), one Tb(1), and one Ti(2) atom.