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DOE OSTI · 1652759

Materials Data on CdPt3 by Materials Project

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Abstract

Pt3Cd crystallizes in the orthorhombic Cmmm space group. The structure is three-dimensional. there are two inequivalent Pt+0.67- sites. In the first Pt+0.67- site, Pt+0.67- is bonded to ten Pt+0.67- and two equivalent Cd2+ atoms to form a mixture of distorted corner, edge, and face-sharing PtCd2Pt10 cuboctahedra. There are eight shorter (2.85 Å) and two longer (2.88 Å) Pt–Pt bond lengths. Both Pt–Cd bond lengths are 2.90 Å. In the second Pt+0.67- site, Pt+0.67- is bonded to eight Pt+0.67- and four equivalent Cd2+ atoms to form distorted PtCd4Pt8 cuboctahedra that share corners with twelve equivalent PtCd4Pt8 cuboctahedra, edges with sixteen PtCd2Pt10 cuboctahedra, and faces with fourteen PtCd2Pt10 cuboctahedra. There are two shorter (2.88 Å) and two longer (2.90 Å) Pt–Pt bond lengths. All Pt–Cd bond lengths are 2.85 Å. Cd2+ is bonded in a 10-coordinate geometry to ten Pt+0.67- atoms.

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36 MATERIALS SCIENCECd-PtCdPt3crystal structure

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2020-07-16. Materials Data on CdPt3 by Materials Project. https://doi.org/10.17188/1652759

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