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DOE OSTI2020

Materials Data on CoNiPt2 by Materials Project

Pt2CoNi crystallizes in the tetragonal P4/mmm space group. The structure is three-dimensional. Co2+ is bonded in a body-centered cubic geometry to eight equivalent Pt2- atoms. All Co–Pt bond lengths are 2.62 Å. Pt2- is bonded to four equivalent Co2+, four equivalent Pt2-, and four equivalent Ni2+ atoms to form a mixture of distorted edge, face, and corner-sharing PtCo4Ni4Pt4 cuboctahedra. All Pt–Pt bond lengths are 2.70 Å. All Pt–Ni bond lengths are 2.65 Å. Ni2+ is bonded in a body-centered cubic geometry to eight equivalent Pt2- atoms.

36 MATERIALS SCIENCE↗

DOE OSTI2020

Materials Data on CoNiPt2 by Materials Project

Pt2CoNi crystallizes in the trigonal R3m space group. The structure is two-dimensional and consists of three Pt2CoNi sheets oriented in the (0, 0, 1) direction. Co2+ is bonded in a 6-coordinate geometry to three equivalent Pt2- atoms. All Co–Pt bond lengths are 2.65 Å. There are two inequivalent Pt2- sites. In the first Pt2- site, Pt2- is bonded to nine Pt2- and three equivalent Ni2+ atoms to form a mixture of distorted corner, edge, and face-sharing PtNi3Pt9 cuboctahedra. There are six shorter (2.72 Å) and three longer (2.94 Å) Pt–Pt bond lengths. All Pt–Ni bond lengths are 2.68 Å. In the second Pt2- site, Pt2- is bonded to three equivalent Co2+ and three equivalent Pt2- atoms to form a mixture of distorted corner and edge-sharing PtCo3Pt3 cuboctahedra. Ni2+ is bonded in a 6-coordinate geometry to three equivalent Pt2- atoms.

36 MATERIALS SCIENCE↗