Materials Data on CuPt by Materials Project
PtCu crystallizes in the trigonal R-3m space group. The structure is three-dimensional. there are two inequivalent Pt2- sites. In the first Pt2- site, Pt2- is bonded to six equivalent Pt2- and six Cu2+ atoms to form a mixture of distorted edge, face, and corner-sharing PtCu6Pt6 cuboctahedra. All Pt–Pt bond lengths are 2.75 Å. All Pt–Cu bond lengths are 2.67 Å. In the second Pt2- site, Pt2- is bonded to ten equivalent Pt2- and six Cu2+ atoms to form distorted PtCu6Pt10 cuboctahedra that share corners with twelve PtCu6Pt6 cuboctahedra, edges with sixteen PtCu6Pt6 cuboctahedra, and faces with sixteen equivalent PtCu6Pt10 cuboctahedra. There are a spread of Pt–Pt bond distances ranging from 2.75–5.49 Å. All Pt–Cu bond lengths are 2.67 Å. There are three inequivalent Cu2+ sites. In the first Cu2+ site, Cu2+ is bonded in a hexagonal planar geometry to six equivalent Pt2- atoms. In the second Cu2+ site, Cu2+ is bonded in a hexagonal planar geometry to six Pt2- atoms. All Cu–Pt bond lengths are 2.67 Å. In the third Cu2+ site, Cu2+ is bonded in a hexagonal planar geometry to six Pt2- atoms.
- Research Organization:
- Lawrence Berkeley National Lab. (LBNL), Berkeley, CA (United States). LBNL Materials Project
- Sponsoring Organization:
- USDOE Office of Science (SC), Basic Energy Sciences (BES)
- Contributing Organization:
- MIT; UC Berkeley; Duke; U Louvain
- DOE Contract Number:
- AC02-05CH11231; EDCBEE
- OSTI ID:
- 1280433
- Report Number(s):
- mp-644311
- Resource Relation:
- Related Information: https://materialsproject.org/citing
- Country of Publication:
- United States
- Language:
- English
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