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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.

36 MATERIALS SCIENCE↗

Materials Data on Ca2SiIr2 by Materials Project

Ca2Ir2Si crystallizes in the monoclinic C2/c space group. The structure is three-dimensional. Ca is bonded in a 7-coordinate geometry to six equivalent Ir and one Si atom. There are a spread of Ca–Ir bond distances ranging from 3.01–3.15 Å. The Ca–Si bond length is 3.10 Å. Ir is bonded in a 9-coordinate geometry to six equivalent Ca, one Ir, and two equivalent Si atoms. The Ir–Ir bond length is 2.65 Å. There are one shorter (2.41 Å) and one longer (2.43 Å) Ir–Si bond lengths. Si is bonded in a 4-coordinate geometry to two equivalent Ca and four equivalent Ir atoms.

36 MATERIALS SCIENCE↗