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DOE OSTI · 1275547

Materials Data on PtN2 by Materials Project

Abstract

PtN2 is Marcasite structured and crystallizes in the orthorhombic Pnnm space group. The structure is three-dimensional. Pt6+ is bonded to six equivalent N3- atoms to form PtN6 octahedra that share corners with eight equivalent PtN6 octahedra, corners with six equivalent NPt3N tetrahedra, and edges with two equivalent PtN6 octahedra. The corner-sharing octahedral tilt angles are 69°. There are two shorter (2.10 Å) and four longer (2.12 Å) Pt–N bond lengths. N3- is bonded to three equivalent Pt6+ and one N3- atom to form NPt3N tetrahedra that share corners with three equivalent PtN6 octahedra, corners with thirteen equivalent NPt3N tetrahedra, and an edgeedge with one NPt3N tetrahedra. The corner-sharing octahedra tilt angles range from 67–69°. The N–N bond length is 1.40 Å.

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2020-07-24. Materials Data on PtN2 by Materials Project. https://doi.org/10.17188/1275547

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36 MATERIALS SCIENCE↗