(CaO)nIrO2 (n = 1, 2, 4) family: Chemical scissors effects of CaO on structural characteristics correlated to physical properties. Ab initio study

Sketches of the crystal structures highlighting the arrangement of IrO6 octahedra (green and red); a) IrO2, b) CaIrO3, c) Ca2IrO4, d) Ca4IrO6 (large grey spheres designate Ca).325