BaTbO3 crystallizes in the triclinic P1 space group. There are two inequivalent Ba sites. In the first Ba site, Ba(1) is bonded in a 7-coordinate geometry to one O(2), one O(3), one O(4), one O(5), one O(6), and two equivalent O(1) atoms. In the second Ba site, Ba(2) is bonded in a 7-coordinate geometry to one O(1), one O(2), one O(3), one O(5), one O(6), and two equivalent O(4) atoms. There are two inequivalent Tb sites. In the first Tb site, Tb(1) is bonded to one O(1), one O(2), one O(3), one O(4), one O(5), and one O(6) atom to form corner-sharing TbO6 octahedra. The corner-sharing octahedral tilt angles range from 16-32°. In the second Tb site, Tb(2) is bonded to one O(1), one O(2), one O(3), one O(4), one O(5), and one O(6) atom to form corner-sharing TbO6 octahedra. The corner-sharing octahedral tilt angles range from 16-32°. There are six inequivalent O sites. In the first O site, O(1) is bonded in a 2-coordinate geometry to one Ba(2), two equivalent Ba(1), one Tb(1), and one Tb(2) atom. In the second O site, O(2) is bonded in a 4-coordinate geometry to one Ba(1), one Ba(2), one Tb(1), and one Tb(2) atom. In the third O site, O(3) is bonded in a 4-coordinate geometry to one Ba(1), one Ba(2), one Tb(1), and one Tb(2) atom. In the fourth O site, O(4) is bonded in a 2-coordinate geometry to one Ba(1), two equivalent Ba(2), one Tb(1), and one Tb(2) atom. In the fifth O site, O(5) is bonded in a 4-coordinate geometry to one Ba(1), one Ba(2), one Tb(1), and one Tb(2) atom. In the sixth O site, O(6) is bonded in a 4-coordinate geometry to one Ba(1), one Ba(2), one Tb(1), and one Tb(2) atom.
BaTbO3 crystallizes in the triclinic P1 space group. There are two inequivalent Ba sites. In the first Ba site, Ba(1) is bonded in a 7-coordinate geometry to one O(2), one O(3), one O(4), one O(5), one O(6), and two equivalent O(1) atoms. The Ba(1)-O(2) bond length is 2.78 Å. The Ba(1)-O(3) bond length is 2.92 Å. The Ba(1)-O(4) bond length is 2.78 Å. The Ba(1)-O(5) bond length is 2.77 Å. The Ba(1)-O(6) bond length is 2.68 Å. There is one shorter (2.94 Å) and one longer (3.26 Å) Ba(1)-O(1) bond length. In the second Ba site, Ba(2) is bonded in a 7-coordinate geometry to one O(1), one O(2), one O(3), one O(5), one O(6), and two equivalent O(4) atoms. The Ba(2)-O(1) bond length is 2.79 Å. The Ba(2)-O(2) bond length is 2.79 Å. The Ba(2)-O(3) bond length is 2.68 Å. The Ba(2)-O(5) bond length is 2.78 Å. The Ba(2)-O(6) bond length is 2.90 Å. There is one shorter (2.93 Å) and one longer (3.27 Å) Ba(2)-O(4) bond length. There are two inequivalent Tb sites. In the first Tb site, Tb(1) is bonded to one O(1), one O(2), one O(3), one O(4), one O(5), and one O(6) atom to form corner-sharing TbO6 octahedra. The corner-sharing octahedral tilt angles range from 16-32°. The Tb(1)-O(1) bond length is 2.29 Å. The Tb(1)-O(2) bond length is 2.27 Å. The Tb(1)-O(3) bond length is 2.31 Å. The Tb(1)-O(4) bond length is 2.29 Å. The Tb(1)-O(5) bond length is 2.27 Å. The Tb(1)-O(6) bond length is 2.31 Å. In the second Tb site, Tb(2) is bonded to one O(1), one O(2), one O(3), one O(4), one O(5), and one O(6) atom to form corner-sharing TbO6 octahedra. The corner-sharing octahedral tilt angles range from 16-32°. The Tb(2)-O(1) bond length is 2.30 Å. The Tb(2)-O(2) bond length is 2.25 Å. The Tb(2)-O(3) bond length is 2.33 Å. The Tb(2)-O(4) bond length is 2.29 Å. The Tb(2)-O(5) bond length is 2.25 Å. The Tb(2)-O(6) bond length is 2.33 Å. There are six inequivalent O sites. In the first O site, O(1) is bonded in a 2-coordinate geometry to one Ba(2), two equivalent Ba(1), one Tb(1), and one Tb(2) atom. In the second O site, O(2) is bonded in a 4-coordinate geometry to one Ba(1), one Ba(2), one Tb(1), and one Tb(2) atom. In the third O site, O(3) is bonded in a 4-coordinate geometry to one Ba(1), one Ba(2), one Tb(1), and one Tb(2) atom. In the fourth O site, O(4) is bonded in a 2-coordinate geometry to one Ba(1), two equivalent Ba(2), one Tb(1), and one Tb(2) atom. In the fifth O site, O(5) is bonded in a 4-coordinate geometry to one Ba(1), one Ba(2), one Tb(1), and one Tb(2) atom. In the sixth O site, O(6) is bonded in a 4-coordinate geometry to one Ba(1), one Ba(2), one Tb(1), and one Tb(2) atom.