SrIrO3 is Orthorhombic Perovskite-like structured and crystallizes in the orthorhombic Cmcm space group. There are two inequivalent Sr sites. In the first Sr site, Sr(1) is bonded in a 10-coordinate geometry to two equivalent O(3), four equivalent O(1), and four equivalent O(4) atoms. In the second Sr site, Sr(2) is bonded in a 10-coordinate geometry to one O(3), two equivalent O(4), three equivalent O(2), and four equivalent O(1) atoms. There are two inequivalent Ir sites. In the first Ir site, Ir(1) is bonded to two equivalent O(2) and four equivalent O(1) atoms to form corner-sharing IrO6 octahedra. The corner-sharing octahedral tilt angles range from 29-31°. In the second Ir site, Ir(2) is bonded to one O(2), one O(3), two equivalent O(1), and two equivalent O(4) atoms to form a mixture of corner and face-sharing IrO6 octahedra. The corner-sharing octahedral tilt angles range from 29-31°. There are four inequivalent O sites. In the first O site, O(3) is bonded to two equivalent Sr(1), two equivalent Sr(2), and two equivalent Ir(2) atoms to form a mixture of distorted corner and face-sharing OSr4Ir2 octahedra. The corner-sharing octahedral tilt angles range from 7-62°. In the second O site, O(4) is bonded to two equivalent Sr(1), two equivalent Sr(2), and two equivalent Ir(2) atoms to form a mixture of distorted corner and face-sharing OSr4Ir2 octahedra. The corner-sharing octahedral tilt angles range from 3-62°. In the third O site, O(1) is bonded in a 5-coordinate geometry to one Sr(1), two equivalent Sr(2), one Ir(1), and one Ir(2) atom. In the fourth O site, O(2) is bonded in a 3-coordinate geometry to three equivalent Sr(2), one Ir(1), and one Ir(2) atom.
SrIrO3 is Orthorhombic Perovskite-like structured and crystallizes in the orthorhombic Cmcm space group. There are two inequivalent Sr sites. In the first Sr site, Sr(1) is bonded in a 10-coordinate geometry to two equivalent O(3), four equivalent O(1), and four equivalent O(4) atoms. Both Sr(1)-O(3) bond lengths are 2.82 Å. All Sr(1)-O(1) bond lengths are 2.62 Å. There are two shorter (2.66 Å) and two longer (2.86 Å) Sr(1)-O(4) bond lengths. In the second Sr site, Sr(2) is bonded in a 10-coordinate geometry to one O(3), two equivalent O(4), three equivalent O(2), and four equivalent O(1) atoms. The Sr(2)-O(3) bond length is 2.72 Å. Both Sr(2)-O(4) bond lengths are 2.65 Å. There is one shorter (2.47 Å) and two longer (2.96 Å) Sr(2)-O(2) bond lengths. There are two shorter (2.53 Å) and two longer (3.01 Å) Sr(2)-O(1) bond lengths. There are two inequivalent Ir sites. In the first Ir site, Ir(1) is bonded to two equivalent O(2) and four equivalent O(1) atoms to form corner-sharing IrO6 octahedra. The corner-sharing octahedral tilt angles range from 29-31°. Both Ir(1)-O(2) bond lengths are 2.02 Å. All Ir(1)-O(1) bond lengths are 1.99 Å. In the second Ir site, Ir(2) is bonded to one O(2), one O(3), two equivalent O(1), and two equivalent O(4) atoms to form a mixture of corner and face-sharing IrO6 octahedra. The corner-sharing octahedral tilt angles range from 29-31°. The Ir(2)-O(2) bond length is 2.03 Å. The Ir(2)-O(3) bond length is 1.99 Å. Both Ir(2)-O(1) bond lengths are 2.02 Å. Both Ir(2)-O(4) bond lengths are 2.07 Å. There are four inequivalent O sites. In the first O site, O(3) is bonded to two equivalent Sr(1), two equivalent Sr(2), and two equivalent Ir(2) atoms to form a mixture of distorted corner and face-sharing OSr4Ir2 octahedra. The corner-sharing octahedral tilt angles range from 7-62°. In the second O site, O(4) is bonded to two equivalent Sr(1), two equivalent Sr(2), and two equivalent Ir(2) atoms to form a mixture of distorted corner and face-sharing OSr4Ir2 octahedra. The corner-sharing octahedral tilt angles range from 3-62°. In the third O site, O(1) is bonded in a 5-coordinate geometry to one Sr(1), two equivalent Sr(2), one Ir(1), and one Ir(2) atom. In the fourth O site, O(2) is bonded in a 3-coordinate geometry to three equivalent Sr(2), one Ir(1), and one Ir(2) atom.