CaIrO3 crystallizes in the orthorhombic Cmcm space group. Ca(1) is bonded in a 6-coordinate geometry to three equivalent O(2) and six equivalent O(1) atoms. Ir(1) is bonded in a body-centered cubic geometry to four equivalent O(1) and four equivalent O(2) atoms. There are two inequivalent O sites. In the first O site, O(1) is bonded in a 5-coordinate geometry to three equivalent Ca(1) and two equivalent Ir(1) atoms. In the second O site, O(2) is bonded in a 7-coordinate geometry to three equivalent Ca(1) and four equivalent Ir(1) atoms.
CaIrO3 crystallizes in the orthorhombic Cmcm space group. Ca(1) is bonded in a 6-coordinate geometry to three equivalent O(2) and six equivalent O(1) atoms. There are two shorter (2.75 Å) and one longer (3.03 Å) Ca(1)-O(2) bond length. There are two shorter (2.38 Å) and four longer (2.45 Å) Ca(1)-O(1) bond lengths. Ir(1) is bonded in a body-centered cubic geometry to four equivalent O(1) and four equivalent O(2) atoms. All Ir(1)-O(1) bond lengths are 2.10 Å. All Ir(1)-O(2) bond lengths are 2.34 Å. There are two inequivalent O sites. In the first O site, O(1) is bonded in a 5-coordinate geometry to three equivalent Ca(1) and two equivalent Ir(1) atoms. In the second O site, O(2) is bonded in a 7-coordinate geometry to three equivalent Ca(1) and four equivalent Ir(1) atoms.