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All sourcesNASA NTRSDOE OSTI
DOE OSTI2020

Materials Data on Ce(SiPt)2 by Materials Project

CePt2Si2 crystallizes in the tetragonal I4/mmm space group. The structure is three-dimensional. Ce4+ is bonded in a 8-coordinate geometry to eight equivalent Pt2- atoms. All Ce–Pt bond lengths are 3.27 Å. Pt2- is bonded to four equivalent Ce4+ and four equivalent Si atoms to form a mixture of distorted corner, edge, and face-sharing PtCe4Si4 tetrahedra. All Pt–Si bond lengths are 2.49 Å. Si is bonded in a 5-coordinate geometry to four equivalent Pt2- and one Si atom. The Si–Si bond length is 2.37 Å.

36 MATERIALS SCIENCE↗
DOE OSTI2020

Materials Data on Ce(SiPt)2 by Materials Project

CePt2Si2 crystallizes in the tetragonal P4/nmm space group. The structure is three-dimensional. Ce4+ is bonded in a 8-coordinate geometry to eight Pt2- atoms. There are four shorter (3.26 Å) and four longer (3.28 Å) Ce–Pt bond lengths. There are two inequivalent Pt2- sites. In the first Pt2- site, Pt2- is bonded in a 4-coordinate geometry to four equivalent Ce4+ and four equivalent Si atoms. All Pt–Si bond lengths are 2.50 Å. In the second Pt2- site, Pt2- is bonded in a 5-coordinate geometry to four equivalent Ce4+ and five Si atoms. There are one shorter (2.42 Å) and four longer (2.44 Å) Pt–Si bond lengths. There are two inequivalent Si sites. In the first Si site, Si is bonded to four equivalent Pt2- atoms to form a mixture of edge and corner-sharing SiPt4 tetrahedra. In the second Si site, Si is bonded in a 5-coordinate geometry to five Pt2- atoms.

36 MATERIALS SCIENCE↗