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All sourcesNASA NTRSDOE OSTI
DOE OSTI2020

Materials Data on Bi2Pt by Materials Project

Bi2Pt is Calaverite structured and crystallizes in the trigonal P-3 space group. The structure is two-dimensional and consists of one Bi2Pt sheet oriented in the (0, 0, 1) direction. there are two inequivalent Pt2- sites. In the first Pt2- site, Pt2- is bonded to six equivalent Bi1+ atoms to form edge-sharing PtBi6 octahedra. There are three shorter (2.79 Å) and three longer (2.80 Å) Pt–Bi bond lengths. In the second Pt2- site, Pt2- is bonded to six equivalent Bi1+ atoms to form edge-sharing PtBi6 octahedra. All Pt–Bi bond lengths are 2.79 Å. Bi1+ is bonded in a distorted T-shaped geometry to three Pt2- atoms.

36 MATERIALS SCIENCE↗
DOE OSTI2020

Materials Data on Bi2Pt by Materials Project

Bi2Pt is Pyrite structured and crystallizes in the cubic Pa-3 space group. The structure is three-dimensional. Pt2- is bonded to six equivalent Bi1+ atoms to form corner-sharing PtBi6 octahedra. The corner-sharing octahedral tilt angles are 62°. All Pt–Bi bond lengths are 2.82 Å. Bi1+ is bonded in a trigonal planar geometry to three equivalent Pt2- atoms.

36 MATERIALS SCIENCE↗
DOE OSTI2020

Materials Data on Bi2Pt by Materials Project

Bi2Pt is Hydrophilite-like structured and crystallizes in the orthorhombic Pbca space group. The structure is three-dimensional. Pt2- is bonded to six Bi1+ atoms to form a mixture of edge and corner-sharing PtBi6 octahedra. The corner-sharing octahedra tilt angles range from 52–64°. There are a spread of Pt–Bi bond distances ranging from 2.79–2.83 Å. There are two inequivalent Bi1+ sites. In the first Bi1+ site, Bi1+ is bonded in a trigonal planar geometry to three equivalent Pt2- atoms. In the second Bi1+ site, Bi1+ is bonded in a trigonal planar geometry to three equivalent Pt2- atoms.

36 MATERIALS SCIENCE↗