LiBa2TbIrO6 crystallizes in the monoclinic Cm space group. Li(1) is bonded in a trigonal non-coplanar geometry to one Ba(1), one O(3), and two equivalent O(1) atoms. There are two inequivalent Ba sites. In the first Ba site, Ba(1) is bonded in a 10-coordinate geometry to one Li(1), one O(3), two equivalent O(1), two equivalent O(2), and four equivalent O(4) atoms. In the second Ba site, Ba(2) is bonded in a 9-coordinate geometry to one O(2), two equivalent O(3), two equivalent O(4), and four equivalent O(1) atoms. Tb(1) is bonded to one O(2), one O(3), two equivalent O(1), and two equivalent O(4) atoms to form distorted TbO6 octahedra that share corners with six equivalent Ir(1)O6 octahedra. The corner-sharing octahedral tilt angles range from 2-8°. Ir(1) is bonded to one O(2), one O(3), two equivalent O(1), and two equivalent O(4) atoms to form IrO6 octahedra that share corners with six equivalent Tb(1)O6 octahedra. The corner-sharing octahedral tilt angles range from 2-8°. There are four inequivalent O sites. In the first O site, O(1) is bonded in a 6-coordinate geometry to one Li(1), one Ba(1), two equivalent Ba(2), one Tb(1), and one Ir(1) atom. In the second O site, O(2) is bonded in a distorted linear geometry to one Ba(2), two equivalent Ba(1), one Tb(1), and one Ir(1) atom. In the third O site, O(3) is bonded in a 6-coordinate geometry to one Li(1), one Ba(1), two equivalent Ba(2), one Tb(1), and one Ir(1) atom. In the fourth O site, O(4) is bonded in a distorted linear geometry to one Ba(2), two equivalent Ba(1), one Tb(1), and one Ir(1) atom.
LiBa2TbIrO6 crystallizes in the monoclinic Cm space group. Li(1) is bonded in a trigonal non-coplanar geometry to one Ba(1), one O(3), and two equivalent O(1) atoms. The Li(1)-Ba(1) bond length is 2.57 Å. The Li(1)-O(3) bond length is 1.89 Å. Both Li(1)-O(1) bond lengths are 1.89 Å. There are two inequivalent Ba sites. In the first Ba site, Ba(1) is bonded in a 10-coordinate geometry to one Li(1), one O(3), two equivalent O(1), two equivalent O(2), and four equivalent O(4) atoms. The Ba(1)-O(3) bond length is 2.63 Å. Both Ba(1)-O(1) bond lengths are 2.64 Å. Both Ba(1)-O(2) bond lengths are 3.07 Å. All Ba(1)-O(4) bond lengths are 3.08 Å. In the second Ba site, Ba(2) is bonded in a 9-coordinate geometry to one O(2), two equivalent O(3), two equivalent O(4), and four equivalent O(1) atoms. The Ba(2)-O(2) bond length is 2.93 Å. Both Ba(2)-O(3) bond lengths are 2.95 Å. Both Ba(2)-O(4) bond lengths are 2.91 Å. All Ba(2)-O(1) bond lengths are 2.95 Å. Tb(1) is bonded to one O(2), one O(3), two equivalent O(1), and two equivalent O(4) atoms to form distorted TbO6 octahedra that share corners with six equivalent Ir(1)O6 octahedra. The corner-sharing octahedral tilt angles range from 2-8°. The Tb(1)-O(2) bond length is 2.16 Å. The Tb(1)-O(3) bond length is 2.41 Å. Both Tb(1)-O(1) bond lengths are 2.41 Å. Both Tb(1)-O(4) bond lengths are 2.16 Å. Ir(1) is bonded to one O(2), one O(3), two equivalent O(1), and two equivalent O(4) atoms to form IrO6 octahedra that share corners with six equivalent Tb(1)O6 octahedra. The corner-sharing octahedral tilt angles range from 2-8°. The Ir(1)-O(2) bond length is 2.02 Å. The Ir(1)-O(3) bond length is 2.10 Å. Both Ir(1)-O(1) bond lengths are 2.10 Å. Both Ir(1)-O(4) bond lengths are 2.02 Å. There are four inequivalent O sites. In the first O site, O(1) is bonded in a 6-coordinate geometry to one Li(1), one Ba(1), two equivalent Ba(2), one Tb(1), and one Ir(1) atom. In the second O site, O(2) is bonded in a distorted linear geometry to one Ba(2), two equivalent Ba(1), one Tb(1), and one Ir(1) atom. In the third O site, O(3) is bonded in a 6-coordinate geometry to one Li(1), one Ba(1), two equivalent Ba(2), one Tb(1), and one Ir(1) atom. In the fourth O site, O(4) is bonded in a distorted linear geometry to one Ba(2), two equivalent Ba(1), one Tb(1), and one Ir(1) atom.