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All sourcesNASA NTRSDOE OSTI
DOE OSTI2020

Materials Data on Gd(SiPt)2 by Materials Project

GdPt2Si2 crystallizes in the tetragonal I4/mmm space group. The structure is three-dimensional. Gd is bonded in a 8-coordinate geometry to eight equivalent Pt and eight equivalent Si atoms. All Gd–Pt bond lengths are 3.25 Å. All Gd–Si bond lengths are 3.20 Å. Pt is bonded to four equivalent Gd and four equivalent Si atoms to form a mixture of distorted edge, corner, and face-sharing PtGd4Si4 tetrahedra. All Pt–Si bond lengths are 2.48 Å. Si is bonded in a 9-coordinate geometry to four equivalent Gd, four equivalent Pt, and one Si atom. The Si–Si bond length is 2.36 Å.

36 MATERIALS SCIENCE↗
DOE OSTI2020

Materials Data on Gd(SiPt)2 by Materials Project

GdPt2Si2 crystallizes in the tetragonal P4/nmm space group. The structure is three-dimensional. Gd is bonded in a 4-coordinate geometry to eight Pt and eight Si atoms. There are four shorter (3.21 Å) and four longer (3.30 Å) Gd–Pt bond lengths. There are four shorter (3.21 Å) and four longer (3.23 Å) Gd–Si bond lengths. There are two inequivalent Pt sites. In the first Pt site, Pt is bonded in a 9-coordinate geometry to four equivalent Gd and five Si atoms. There are one shorter (2.41 Å) and four longer (2.44 Å) Pt–Si bond lengths. In the second Pt site, Pt is bonded to four equivalent Gd and four equivalent Si atoms to form a mixture of distorted face and edge-sharing PtGd4Si4 tetrahedra. All Pt–Si bond lengths are 2.49 Å. There are two inequivalent Si sites. In the first Si site, Si is bonded in a 9-coordinate geometry to four equivalent Gd and five Pt atoms. In the second Si site, Si is bonded in a 4-coordinate geometry to four equivalent Gd and four equivalent Pt atoms.

36 MATERIALS SCIENCE↗