BaLaCoIrO6 is Orthorhombic Perovskite-derived structured and crystallizes in the triclinic P1 space group. Ba(1) is bonded in a 12-coordinate geometry 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. La(1) is bonded in a 5-coordinate geometry to one O(2), one O(5), one O(6), two equivalent O(1), two equivalent O(3), and two equivalent O(4) atoms. Ir(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 IrO6 octahedra that share corners with six equivalent Co(1)O6 octahedra. The corner-sharing octahedral tilt angles range from 15-29°. Co(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 CoO6 octahedra that share corners with six equivalent Ir(1)O6 octahedra. The corner-sharing octahedral tilt angles range from 15-29°. There are six inequivalent O sites. In the first O site, O(1) is bonded in a 6-coordinate geometry to two equivalent Ba(1), two equivalent La(1), one Ir(1), and one Co(1) atom. In the second O site, O(2) is bonded in a 5-coordinate geometry to two equivalent Ba(1), one La(1), one Ir(1), and one Co(1) atom. In the third O site, O(3) is bonded in a 6-coordinate geometry to two equivalent Ba(1), two equivalent La(1), one Ir(1), and one Co(1) atom. In the fourth O site, O(4) is bonded in a 6-coordinate geometry to two equivalent Ba(1), two equivalent La(1), one Ir(1), and one Co(1) atom. In the fifth O site, O(5) is bonded in a 4-coordinate geometry to two equivalent Ba(1), one La(1), one Ir(1), and one Co(1) atom. In the sixth O site, O(6) is bonded in a 5-coordinate geometry to two equivalent Ba(1), one La(1), one Ir(1), and one Co(1) atom.
BaLaCoIrO6 is Orthorhombic Perovskite-derived structured and crystallizes in the triclinic P1 space group. Ba(1) is bonded in a 12-coordinate geometry 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. There is one shorter (2.61 Å) and one longer (3.16 Å) Ba(1)-O(1) bond length. There is one shorter (2.88 Å) and one longer (2.92 Å) Ba(1)-O(2) bond length. There is one shorter (2.72 Å) and one longer (2.99 Å) Ba(1)-O(3) bond length. There is one shorter (2.76 Å) and one longer (2.98 Å) Ba(1)-O(4) bond length. There is one shorter (2.70 Å) and one longer (3.07 Å) Ba(1)-O(5) bond length. There is one shorter (2.77 Å) and one longer (2.95 Å) Ba(1)-O(6) bond length. La(1) is bonded in a 5-coordinate geometry to one O(2), one O(5), one O(6), two equivalent O(1), two equivalent O(3), and two equivalent O(4) atoms. The La(1)-O(2) bond length is 2.44 Å. The La(1)-O(5) bond length is 2.53 Å. The La(1)-O(6) bond length is 2.48 Å. There is one shorter (2.81 Å) and one longer (2.94 Å) La(1)-O(1) bond length. There is one shorter (2.56 Å) and one longer (3.14 Å) La(1)-O(3) bond length. There is one shorter (2.48 Å) and one longer (3.22 Å) La(1)-O(4) bond length. Ir(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 IrO6 octahedra that share corners with six equivalent Co(1)O6 octahedra. The corner-sharing octahedral tilt angles range from 15-29°. The Ir(1)-O(1) bond length is 1.99 Å. The Ir(1)-O(2) bond length is 2.04 Å. The Ir(1)-O(3) bond length is 2.00 Å. The Ir(1)-O(4) bond length is 2.00 Å. The Ir(1)-O(5) bond length is 2.00 Å. The Ir(1)-O(6) bond length is 2.01 Å. Co(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 CoO6 octahedra that share corners with six equivalent Ir(1)O6 octahedra. The corner-sharing octahedral tilt angles range from 15-29°. The Co(1)-O(1) bond length is 2.08 Å. The Co(1)-O(2) bond length is 2.08 Å. The Co(1)-O(3) bond length is 2.11 Å. The Co(1)-O(4) bond length is 2.11 Å. The Co(1)-O(5) bond length is 2.10 Å. The Co(1)-O(6) bond length is 2.13 Å. There are six inequivalent O sites. In the first O site, O(1) is bonded in a 6-coordinate geometry to two equivalent Ba(1), two equivalent La(1), one Ir(1), and one Co(1) atom. In the second O site, O(2) is bonded in a 5-coordinate geometry to two equivalent Ba(1), one La(1), one Ir(1), and one Co(1) atom. In the third O site, O(3) is bonded in a 6-coordinate geometry to two equivalent Ba(1), two equivalent La(1), one Ir(1), and one Co(1) atom. In the fourth O site, O(4) is bonded in a 6-coordinate geometry to two equivalent Ba(1), two equivalent La(1), one Ir(1), and one Co(1) atom. In the fifth O site, O(5) is bonded in a 4-coordinate geometry to two equivalent Ba(1), one La(1), one Ir(1), and one Co(1) atom. In the sixth O site, O(6) is bonded in a 5-coordinate geometry to two equivalent Ba(1), one La(1), one Ir(1), and one Co(1) atom.