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All sourcesNASA NTRSDOE OSTI
DOE OSTI2020

Materials Data on Gd(SiIr)2 by Materials Project

Gd(IrSi)2 crystallizes in the tetragonal I4/mmm space group. The structure is three-dimensional. Gd is bonded in a 8-coordinate geometry to eight equivalent Ir and eight equivalent Si atoms. All Gd–Ir bond lengths are 3.24 Å. All Gd–Si bond lengths are 3.15 Å. Ir is bonded to four equivalent Gd and four equivalent Si atoms to form a mixture of distorted corner, edge, and face-sharing IrGd4Si4 tetrahedra. All Ir–Si bond lengths are 2.42 Å. Si is bonded in a 9-coordinate geometry to four equivalent Gd, four equivalent Ir, and one Si atom. The Si–Si bond length is 2.46 Å.

36 MATERIALS SCIENCE↗
DOE OSTI2020

Materials Data on GdSi3Ir by Materials Project

GdIrSi3 crystallizes in the tetragonal I4mm space group. The structure is three-dimensional. Gd is bonded in a 8-coordinate geometry to five equivalent Ir and twelve Si atoms. There are four shorter (3.34 Å) and one longer (3.40 Å) Gd–Ir bond lengths. There are a spread of Gd–Si bond distances ranging from 3.09–3.35 Å. Ir is bonded in a 5-coordinate geometry to five equivalent Gd and five Si atoms. There are one shorter (2.35 Å) and four longer (2.37 Å) Ir–Si bond lengths. There are two inequivalent Si sites. In the first Si site, Si is bonded in a distorted single-bond geometry to four equivalent Gd, one Ir, and four equivalent Si atoms. All Si–Si bond lengths are 2.57 Å. In the second Si site, Si is bonded in a distorted bent 120 degrees geometry to four equivalent Gd, two equivalent Ir, and two equivalent Si atoms.

36 MATERIALS SCIENCE↗