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DOE OSTI2020

Materials Data on CrCoPt2 by Materials Project

CrCoPt2 crystallizes in the tetragonal P4/mmm space group. The structure is three-dimensional. Cr2+ is bonded in a distorted body-centered cubic geometry to eight equivalent Pt2- atoms. All Cr–Pt bond lengths are 2.68 Å. Co2+ is bonded in a distorted body-centered cubic geometry to eight equivalent Pt2- atoms. All Co–Pt bond lengths are 2.68 Å. Pt2- is bonded to four equivalent Cr2+, four equivalent Co2+, and four equivalent Pt2- atoms to form a mixture of distorted edge, corner, and face-sharing PtCr4Co4Pt4 cuboctahedra. All Pt–Pt bond lengths are 2.70 Å.

36 MATERIALS SCIENCE↗

DOE OSTI2020

Materials Data on CrCoPt2 by Materials Project

CrCoPt2 crystallizes in the trigonal R3m space group. The structure is three-dimensional. Cr2+ is bonded in a distorted hexagonal planar geometry to three equivalent Co2+ and three equivalent Pt2- atoms. All Cr–Co bond lengths are 2.46 Å. All Cr–Pt bond lengths are 2.63 Å. Co2+ is bonded in a distorted hexagonal planar geometry to three equivalent Cr2+ and three equivalent Pt2- atoms. All Co–Pt bond lengths are 2.68 Å. There are two inequivalent Pt2- sites. In the first Pt2- site, Pt2- is bonded in a 12-coordinate geometry to three equivalent Cr2+ and three equivalent Pt2- atoms. All Pt–Pt bond lengths are 2.94 Å. In the second Pt2- site, Pt2- is bonded to three equivalent Co2+ and nine Pt2- atoms to form a mixture of distorted face, edge, and corner-sharing PtCo3Pt9 cuboctahedra. All Pt–Pt bond lengths are 2.70 Å.

36 MATERIALS SCIENCE↗