BaSrTbCeO6 is Orthorhombic Perovskite-derived structured and crystallizes in the triclinic P-1 space group. Ba(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. Sr(1) is bonded in a 8-coordinate geometry to one O(2), one O(3), one O(5), one O(6), two equivalent O(1), and two equivalent O(4) atoms. 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(5) atoms to form TbO6 octahedra that share corners with two equivalent Ce(2)O6 octahedra and corners with four equivalent Ce(1)O6 octahedra. The corner-sharing octahedral tilt angles range from 26-32°. In the second Tb site, Tb(2) is bonded to two equivalent O(2), two equivalent O(4), and two equivalent O(6) atoms to form TbO6 octahedra that share corners with two equivalent Ce(1)O6 octahedra and corners with four equivalent Ce(2)O6 octahedra. The corner-sharing octahedral tilt angles range from 26-30°. There are two inequivalent Ce sites. In the first Ce site, Ce(1) is bonded to two equivalent O(1), two equivalent O(3), and two equivalent O(6) atoms to form CeO6 octahedra that share corners with two equivalent Tb(2)O6 octahedra and corners with four equivalent Tb(1)O6 octahedra. The corner-sharing octahedral tilt angles range from 26-31°. In the second Ce site, Ce(2) is bonded to two equivalent O(2), two equivalent O(4), and two equivalent O(5) atoms to form CeO6 octahedra that share corners with two equivalent Tb(1)O6 octahedra and corners with four equivalent Tb(2)O6 octahedra. The corner-sharing octahedral tilt angles range from 26-32°. There are six inequivalent O sites. In the first O site, O(1) is bonded in a 5-coordinate geometry to one Ba(1), two equivalent Sr(1), one Tb(1), and one Ce(1) atom. In the second O site, O(2) is bonded in a 5-coordinate geometry to two equivalent Ba(1), one Sr(1), one Tb(2), and one Ce(2) atom. In the third O site, O(3) is bonded in a 5-coordinate geometry to two equivalent Ba(1), one Sr(1), one Tb(1), and one Ce(1) atom. In the fourth O site, O(4) is bonded in a 5-coordinate geometry to one Ba(1), two equivalent Sr(1), one Tb(2), and one Ce(2) atom. In the fifth O site, O(5) is bonded in a 4-coordinate geometry to one Ba(1), one Sr(1), one Tb(1), and one Ce(2) atom. In the sixth O site, O(6) is bonded to one Ba(1), one Sr(1), one Tb(2), and one Ce(1) atom to form distorted corner-sharing OBaSrTbCe tetrahedra.
BaSrTbCeO6 is Orthorhombic Perovskite-derived structured and crystallizes in the triclinic P-1 space group. Ba(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 Ba(1)-O(1) bond length is 2.94 Å. The Ba(1)-O(4) bond length is 2.95 Å. The Ba(1)-O(5) bond length is 2.87 Å. The Ba(1)-O(6) bond length is 2.70 Å. There is one shorter (2.68 Å) and one longer (3.11 Å) Ba(1)-O(2) bond length. There is one shorter (2.69 Å) and one longer (3.09 Å) Ba(1)-O(3) bond length. Sr(1) is bonded in a 8-coordinate geometry to one O(2), one O(3), one O(5), one O(6), two equivalent O(1), and two equivalent O(4) atoms. The Sr(1)-O(2) bond length is 2.92 Å. The Sr(1)-O(3) bond length is 2.94 Å. The Sr(1)-O(5) bond length is 2.56 Å. The Sr(1)-O(6) bond length is 2.65 Å. There is one shorter (2.61 Å) and one longer (3.14 Å) Sr(1)-O(1) bond length. There is one shorter (2.61 Å) and one longer (3.13 Å) Sr(1)-O(4) 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(5) atoms to form TbO6 octahedra that share corners with two equivalent Ce(2)O6 octahedra and corners with four equivalent Ce(1)O6 octahedra. The corner-sharing octahedral tilt angles range from 26-32°. Both Tb(1)-O(1) bond lengths are 2.28 Å. Both Tb(1)-O(3) bond lengths are 2.27 Å. Both Tb(1)-O(5) bond lengths are 2.29 Å. In the second Tb site, Tb(2) is bonded to two equivalent O(2), two equivalent O(4), and two equivalent O(6) atoms to form TbO6 octahedra that share corners with two equivalent Ce(1)O6 octahedra and corners with four equivalent Ce(2)O6 octahedra. The corner-sharing octahedral tilt angles range from 26-30°. Both Tb(2)-O(2) bond lengths are 2.27 Å. Both Tb(2)-O(4) bond lengths are 2.29 Å. Both Tb(2)-O(6) bond lengths are 2.27 Å. There are two inequivalent Ce sites. In the first Ce site, Ce(1) is bonded to two equivalent O(1), two equivalent O(3), and two equivalent O(6) atoms to form CeO6 octahedra that share corners with two equivalent Tb(2)O6 octahedra and corners with four equivalent Tb(1)O6 octahedra. The corner-sharing octahedral tilt angles range from 26-31°. Both Ce(1)-O(1) bond lengths are 2.26 Å. Both Ce(1)-O(3) bond lengths are 2.23 Å. Both Ce(1)-O(6) bond lengths are 2.24 Å. In the second Ce site, Ce(2) is bonded to two equivalent O(2), two equivalent O(4), and two equivalent O(5) atoms to form CeO6 octahedra that share corners with two equivalent Tb(1)O6 octahedra and corners with four equivalent Tb(2)O6 octahedra. The corner-sharing octahedral tilt angles range from 26-32°. Both Ce(2)-O(2) bond lengths are 2.23 Å. Both Ce(2)-O(4) bond lengths are 2.25 Å. Both Ce(2)-O(5) bond lengths are 2.26 Å. There are six inequivalent O sites. In the first O site, O(1) is bonded in a 5-coordinate geometry to one Ba(1), two equivalent Sr(1), one Tb(1), and one Ce(1) atom. In the second O site, O(2) is bonded in a 5-coordinate geometry to two equivalent Ba(1), one Sr(1), one Tb(2), and one Ce(2) atom. In the third O site, O(3) is bonded in a 5-coordinate geometry to two equivalent Ba(1), one Sr(1), one Tb(1), and one Ce(1) atom. In the fourth O site, O(4) is bonded in a 5-coordinate geometry to one Ba(1), two equivalent Sr(1), one Tb(2), and one Ce(2) atom. In the fifth O site, O(5) is bonded in a 4-coordinate geometry to one Ba(1), one Sr(1), one Tb(1), and one Ce(2) atom. In the sixth O site, O(6) is bonded to one Ba(1), one Sr(1), one Tb(2), and one Ce(1) atom to form distorted corner-sharing OBaSrTbCe tetrahedra.