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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↗
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 3.30 Å. All Gd–Si bond lengths are 3.29 Å. Pt is bonded in a 4-coordinate geometry to four equivalent Gd and four equivalent Si atoms. All Pt–Si bond lengths are 2.42 Å. Si is bonded in a 4-coordinate geometry to four equivalent Gd and four equivalent Pt atoms.

36 MATERIALS SCIENCE↗
DOE OSTI2020

Materials Data on GdSiPt2 by Materials Project

GdPt2Si crystallizes in the orthorhombic Pnma space group. The structure is three-dimensional. Gd is bonded in a 11-coordinate geometry to ten equivalent Pt and three equivalent Si atoms. There are a spread of Gd–Pt bond distances ranging from 2.99–3.55 Å. There are a spread of Gd–Si bond distances ranging from 3.01–3.04 Å. Pt is bonded in a 12-coordinate geometry to five equivalent Gd, four equivalent Pt, and three equivalent Si atoms. There are a spread of Pt–Pt bond distances ranging from 2.77–3.08 Å. There are a spread of Pt–Si bond distances ranging from 2.50–2.65 Å. Si is bonded in a 9-coordinate geometry to three equivalent Gd and six equivalent Pt atoms.

36 MATERIALS SCIENCE↗
DOE OSTI2020

Materials Data on GdSiPt by Materials Project

GdPtSi is hexagonal omega structure-derived structured and crystallizes in the tetragonal I4_1md space group. The structure is three-dimensional. Gd is bonded to six equivalent Pt and six equivalent Si atoms to form a mixture of edge and face-sharing GdSi6Pt6 cuboctahedra. All Gd–Pt bond lengths are 3.16 Å. There are four shorter (3.14 Å) and two longer (3.21 Å) Gd–Si bond lengths. There are three inequivalent Pt sites. In the first Pt site, Pt is bonded in a 3-coordinate geometry to six equivalent Gd and three equivalent Si atoms. There are two shorter (2.39 Å) and one longer (2.42 Å) Pt–Si bond lengths. In the second Pt site, Pt is bonded in a 3-coordinate geometry to six equivalent Gd and three equivalent Si atoms. All Pt–Gd bond lengths are 3.16 Å. There are two shorter (2.39 Å) and one longer (2.42 Å) Pt–Si bond lengths. In the third Pt site, Pt is bonded in a 3-coordinate geometry to six equivalent Gd and three equivalent Si atoms. All Pt–Gd bond lengths are 3.16 Å. There are two shorter (2.39 Å) and one longer (2.42 Å) Pt–Si bond lengths. Si is bonded in a distorted trigonal planar geometry to six equivalent Gd and three equivalent Pt atoms.

36 MATERIALS SCIENCE↗