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DOE OSTI2020

Materials Data on CeSnPt by Materials Project

CePtSn crystallizes in the orthorhombic Pnma space group. The structure is three-dimensional. Ce is bonded in a 1-coordinate geometry to six equivalent Pt and six equivalent Sn atoms. There are a spread of Ce–Pt bond distances ranging from 3.05–3.59 Å. There are a spread of Ce–Sn bond distances ranging from 3.23–3.40 Å. Pt is bonded in a 10-coordinate geometry to six equivalent Ce and four equivalent Sn atoms. There are a spread of Pt–Sn bond distances ranging from 2.73–2.93 Å. Sn is bonded in a 10-coordinate geometry to six equivalent Ce and four equivalent Pt atoms.

36 MATERIALS SCIENCE↗

DOE OSTI2020

Materials Data on CeSnPt by Materials Project

CePtSn crystallizes in the hexagonal P-62m space group. The structure is three-dimensional. Ce is bonded in a 11-coordinate geometry to five Pt and six equivalent Sn atoms. There are four shorter (3.10 Å) and one longer (3.13 Å) Ce–Pt bond lengths. There are two shorter (3.29 Å) and four longer (3.44 Å) Ce–Sn bond lengths. There are two inequivalent Pt sites. In the first Pt site, Pt is bonded in a 9-coordinate geometry to six equivalent Ce and three equivalent Sn atoms. All Pt–Sn bond lengths are 2.89 Å. In the second Pt site, Pt is bonded in a 9-coordinate geometry to three equivalent Ce and six equivalent Sn atoms. All Pt–Sn bond lengths are 2.83 Å. Sn is bonded in a 10-coordinate geometry to six equivalent Ce and four Pt atoms.

36 MATERIALS SCIENCE↗