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Materials Data on LiSiIr2 by Materials Project

LiIr2Si is Heusler structured and crystallizes in the cubic Fm-3m space group. The structure is three-dimensional. Li is bonded in a body-centered cubic geometry to eight equivalent Ir and six equivalent Si atoms. All Li–Ir bond lengths are 2.52 Å. All Li–Si bond lengths are 2.91 Å. Ir is bonded in a body-centered cubic geometry to four equivalent Li and four equivalent Si atoms. All Ir–Si bond lengths are 2.52 Å. Si is bonded in a distorted body-centered cubic geometry to six equivalent Li and eight equivalent Ir atoms.

36 MATERIALS SCIENCE↗

Materials Data on LiSi2Ir by Materials Project

LiIrSi2 crystallizes in the orthorhombic Immm space group. The structure is one-dimensional and consists of two LiIrSi2 ribbons oriented in the (0, 1, 0) direction. Li is bonded in a linear geometry to two equivalent Si atoms. Both Li–Si bond lengths are 2.59 Å. Ir is bonded in a linear geometry to two equivalent Si atoms. Both Ir–Si bond lengths are 2.24 Å. Si is bonded in a linear geometry to one Li and one Ir atom.

36 MATERIALS SCIENCE↗