Materials Data on Ca3(SiIr)4 by Materials Project
Ca3(IrSi)4 crystallizes in the cubic I-43m space group. The structure is three-dimensional. Ca is bonded in a 8-coordinate geometry to four equivalent Ir and four equivalent Si atoms. All Ca–Ir bond lengths are 3.07 Å. All Ca–Si bond lengths are 3.06 Å. Ir is bonded in a 7-coordinate geometry to three equivalent Ca and four equivalent Si atoms. There are one shorter (2.30 Å) and three longer (2.45 Å) Ir–Si bond lengths. Si is bonded in a 7-coordinate geometry to three equivalent Ca and four equivalent Ir atoms.