Ba(IrO3)2 crystallizes in the trigonal R3 space group. Ba(1) is bonded in a 9-coordinate geometry to one O(1), one O(2), one O(4), two equivalent O(3), two equivalent O(5), and two equivalent O(6) atoms. There are two inequivalent Ir sites. In the first Ir site, Ir(1) is bonded to one O(1), one O(2), one O(4), one O(5), and two equivalent O(3) atoms to form a mixture of corner and edge-sharing IrO6 octahedra. The corner-sharing octahedral tilt angles range from 46-49°. In the second Ir site, Ir(2) is bonded to one O(1), one O(2), one O(4), one O(5), and two equivalent O(6) atoms to form a mixture of corner and edge-sharing IrO6 octahedra. The corner-sharing octahedral tilt angles range from 46-49°. There are six inequivalent O sites. In the first O site, O(4) is bonded in a distorted trigonal non-coplanar geometry to one Ba(1), one Ir(1), and one Ir(2) atom. In the second O site, O(5) is bonded in a distorted L-shaped geometry to two equivalent Ba(1), one Ir(1), and one Ir(2) atom. In the third O site, O(6) is bonded in a 4-coordinate geometry to two equivalent Ba(1) and two equivalent Ir(2) atoms. In the fourth O site, O(1) is bonded in a distorted water-like geometry to one Ba(1), one Ir(1), and one Ir(2) atom. In the fifth O site, O(2) is bonded in a 2-coordinate geometry to one Ba(1), one Ir(1), and one Ir(2) atom. In the sixth O site, O(3) is bonded in a 4-coordinate geometry to two equivalent Ba(1) and two equivalent Ir(1) atoms.
Ba(IrO3)2 crystallizes in the trigonal R3 space group. Ba(1) is bonded in a 9-coordinate geometry to one O(1), one O(2), one O(4), two equivalent O(3), two equivalent O(5), and two equivalent O(6) atoms. The Ba(1)-O(1) bond length is 2.89 Å. The Ba(1)-O(2) bond length is 2.89 Å. The Ba(1)-O(4) bond length is 2.63 Å. There is one shorter (2.65 Å) and one longer (2.86 Å) Ba(1)-O(3) bond length. There is one shorter (2.95 Å) and one longer (3.01 Å) Ba(1)-O(5) bond length. There is one shorter (2.64 Å) and one longer (2.93 Å) Ba(1)-O(6) bond length. There are two inequivalent Ir sites. In the first Ir site, Ir(1) is bonded to one O(1), one O(2), one O(4), one O(5), and two equivalent O(3) atoms to form a mixture of corner and edge-sharing IrO6 octahedra. The corner-sharing octahedral tilt angles range from 46-49°. The Ir(1)-O(1) bond length is 1.97 Å. The Ir(1)-O(2) bond length is 1.93 Å. The Ir(1)-O(4) bond length is 1.91 Å. The Ir(1)-O(5) bond length is 2.02 Å. There is one shorter (1.96 Å) and one longer (1.99 Å) Ir(1)-O(3) bond length. In the second Ir site, Ir(2) is bonded to one O(1), one O(2), one O(4), one O(5), and two equivalent O(6) atoms to form a mixture of corner and edge-sharing IrO6 octahedra. The corner-sharing octahedral tilt angles range from 46-49°. The Ir(2)-O(1) bond length is 1.97 Å. The Ir(2)-O(2) bond length is 1.93 Å. The Ir(2)-O(4) bond length is 1.93 Å. The Ir(2)-O(5) bond length is 2.00 Å. There is one shorter (1.96 Å) and one longer (1.97 Å) Ir(2)-O(6) bond length. There are six inequivalent O sites. In the first O site, O(4) is bonded in a distorted trigonal non-coplanar geometry to one Ba(1), one Ir(1), and one Ir(2) atom. In the second O site, O(5) is bonded in a distorted L-shaped geometry to two equivalent Ba(1), one Ir(1), and one Ir(2) atom. In the third O site, O(6) is bonded in a 4-coordinate geometry to two equivalent Ba(1) and two equivalent Ir(2) atoms. In the fourth O site, O(1) is bonded in a distorted water-like geometry to one Ba(1), one Ir(1), and one Ir(2) atom. In the fifth O site, O(2) is bonded in a 2-coordinate geometry to one Ba(1), one Ir(1), and one Ir(2) atom. In the sixth O site, O(3) is bonded in a 4-coordinate geometry to two equivalent Ba(1) and two equivalent Ir(1) atoms.