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DOE OSTI · 1711692

Materials Data on Cr3Pt by Materials Project

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Abstract

Cr3Pt is beta Cu3Ti-like structured and crystallizes in the hexagonal P6_3/mmc space group. The structure is three-dimensional. there are two inequivalent Cr sites. In the first Cr site, Cr is bonded in a 12-coordinate geometry to eight Cr and four equivalent Pt atoms. There are a spread of Cr–Cr bond distances ranging from 2.43–2.93 Å. There are two shorter (2.67 Å) and two longer (2.69 Å) Cr–Pt bond lengths. In the second Cr site, Cr is bonded in a 12-coordinate geometry to eight Cr and four equivalent Pt atoms. Both Cr–Cr bond lengths are 2.49 Å. There are two shorter (2.67 Å) and two longer (2.69 Å) Cr–Pt bond lengths. Pt is bonded to twelve Cr atoms to form a mixture of corner and face-sharing PtCr12 cuboctahedra.

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2020-05-04. Materials Data on Cr3Pt by Materials Project. https://doi.org/10.17188/1711692

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