Sr3CaIrO6 crystallizes in the trigonal R-3c space group. Sr(1) is bonded in a 8-coordinate geometry to eight equivalent O(1) atoms. Ca(1) is bonded in a 6-coordinate geometry to six equivalent O(1) atoms. Ir(1) is bonded in an octahedral geometry to six equivalent O(1) atoms. O(1) is bonded to four equivalent Sr(1), one Ca(1), and one Ir(1) atom to form a mixture of distorted face, corner, and edge-sharing OSr4CaIr octahedra. The corner-sharing octahedral tilt angles range from 0-64°.
Sr3CaIrO6 crystallizes in the trigonal R-3c space group. Sr(1) is bonded in a 8-coordinate geometry to eight equivalent O(1) atoms. There are a spread of Sr(1)-O(1) bond distances ranging from 2.56-2.80 Å. Ca(1) is bonded in a 6-coordinate geometry to six equivalent O(1) atoms. All Ca(1)-O(1) bond lengths are 2.36 Å. Ir(1) is bonded in an octahedral geometry to six equivalent O(1) atoms. All Ir(1)-O(1) bond lengths are 2.07 Å. O(1) is bonded to four equivalent Sr(1), one Ca(1), and one Ir(1) atom to form a mixture of distorted face, corner, and edge-sharing OSr4CaIr octahedra. The corner-sharing octahedral tilt angles range from 0-64°.