Materials Data on CoPt3 by Materials Project

doi:10.17188/1749346

Title: Materials Data on CoPt3 by Materials Project

Abstract

Pt3Co crystallizes in the trigonal R-3m space group. The structure is three-dimensional. Co2+ is bonded in a distorted hexagonal planar geometry to six equivalent Pt+0.67- atoms. All Co–Pt bond lengths are 2.63 Å. There are four inequivalent Pt+0.67- sites. In the first Pt+0.67- site, Pt+0.67- is bonded to three equivalent Co2+ and three equivalent Pt+0.67- atoms to form a mixture of distorted edge and corner-sharing PtCo3Pt3 cuboctahedra. All Pt–Pt bond lengths are 2.89 Å. In the second Pt+0.67- site, Pt+0.67- is bonded to twelve Pt+0.67- atoms to form PtPt12 cuboctahedra that share corners with eighteen PtCo3Pt3 cuboctahedra, edges with eighteen PtCo3Pt3 cuboctahedra, and faces with six equivalent PtPt12 cuboctahedra. All Pt–Pt bond lengths are 2.76 Å. In the third Pt+0.67- site, Pt+0.67- is bonded to three equivalent Co2+ and three equivalent Pt+0.67- atoms to form distorted PtCo3Pt3 cuboctahedra that share corners with fourteen PtCo3Pt3 cuboctahedra, edges with twenty PtCo3Pt3 cuboctahedra, and faces with two equivalent PtPt16 cuboctahedra. All Pt–Co bond lengths are 2.63 Å. All Pt–Pt bond lengths are 2.89 Å. In the fourth Pt+0.67- site, Pt+0.67- is bonded to sixteen Pt+0.67- atoms to form a mixture of edge, corner, and face-sharing PtPt16 cuboctahedra. There are a spread of Pt–Ptmore »« less

Authors:: The Materials Project

Publication Date:: 2020-05-03

Other Number(s):: mp-1226089

DOE Contract Number:: AC02-05CH11231; EDCBEE

Research Org.:: Lawrence Berkeley National Lab. (LBNL), Berkeley, CA (United States). LBNL Materials Project

Sponsoring Org.:: USDOE Office of Science (SC), Basic Energy Sciences (BES)

Collaborations:: MIT; UC Berkeley; Duke; U Louvain

Subject:: 36 MATERIALS SCIENCE

Keywords:: crystal structure; CoPt3; Co-Pt

OSTI Identifier:: 1749346

DOI:: https://doi.org/10.17188/1749346

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                    The Materials Project. Materials Data on CoPt3 by Materials Project.  United States: N. p., 2020. 
        Web.  doi:10.17188/1749346.

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                    The Materials Project. Materials Data on CoPt3 by Materials Project.  United States.  doi:https://doi.org/10.17188/1749346

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                    The Materials Project. 2020.  
"Materials Data on CoPt3 by Materials Project".  United States.  doi:https://doi.org/10.17188/1749346.  https://www.osti.gov/servlets/purl/1749346. Pub date:Sun May 03 00:00:00 EDT 2020

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@article{osti_1749346,

  title        = {Materials Data on CoPt3 by Materials Project},

  author       = {The Materials Project},

  abstractNote = {Pt3Co crystallizes in the trigonal R-3m space group. The structure is three-dimensional. Co2+ is bonded in a distorted hexagonal planar geometry to six equivalent Pt+0.67- atoms. All Co–Pt bond lengths are 2.63 Å. There are four inequivalent Pt+0.67- sites. In the first Pt+0.67- site, Pt+0.67- is bonded to three equivalent Co2+ and three equivalent Pt+0.67- atoms to form a mixture of distorted edge and corner-sharing PtCo3Pt3 cuboctahedra. All Pt–Pt bond lengths are 2.89 Å. In the second Pt+0.67- site, Pt+0.67- is bonded to twelve Pt+0.67- atoms to form PtPt12 cuboctahedra that share corners with eighteen PtCo3Pt3 cuboctahedra, edges with eighteen PtCo3Pt3 cuboctahedra, and faces with six equivalent PtPt12 cuboctahedra. All Pt–Pt bond lengths are 2.76 Å. In the third Pt+0.67- site, Pt+0.67- is bonded to three equivalent Co2+ and three equivalent Pt+0.67- atoms to form distorted PtCo3Pt3 cuboctahedra that share corners with fourteen PtCo3Pt3 cuboctahedra, edges with twenty PtCo3Pt3 cuboctahedra, and faces with two equivalent PtPt16 cuboctahedra. All Pt–Co bond lengths are 2.63 Å. All Pt–Pt bond lengths are 2.89 Å. In the fourth Pt+0.67- site, Pt+0.67- is bonded to sixteen Pt+0.67- atoms to form a mixture of edge, corner, and face-sharing PtPt16 cuboctahedra. There are a spread of Pt–Pt bond distances ranging from 2.76–5.51 Å.},

  doi          = {10.17188/1749346},

  journal      = {},

  number       = ,

  volume       = ,

  place        = {United States},

  year         = {2020},

  month        = {5}

}

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DOI: https://doi.org/10.17188/1749346

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Works referenced in this record:

Shape-Controlled Synthesis of Pt3Co Nanocrystals with High Electrocatalytic Activity toward Oxygen Reduction
journal, September 2011

Choi, Sang-Il; Choi, Ran; Han, Sang Woo
Chemistry - A European Journal, Vol. 17, Issue 44
https://doi.org/10.1002/chem.201101138

Particle size effect in carbon supported Pt–Co alloy electrocatalysts prepared by the borohydride method: XRD characterization
journal, March 2009

Leontyev, I. N.; Chernyshov, D. Yu.; Guterman, V. E.
Applied Catalysis A: General, Vol. 357, Issue 1
https://doi.org/10.1016/j.apcata.2008.12.023

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Similar Records

Title: Materials Data on CoPt3 by Materials Project

Abstract

Citation Formats

Shape-Controlled Synthesis of Pt3Co Nanocrystals with High Electrocatalytic Activity toward Oxygen Reduction journal, September 2011

Particle size effect in carbon supported Pt–Co alloy electrocatalysts prepared by the borohydride method: XRD characterization journal, March 2009

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