Materials Data on CeCuPt4 by Materials Project

doi:10.17188/1717192

Title: Materials Data on CeCuPt4 by Materials Project

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Abstract

CePt4Cu crystallizes in the hexagonal P-6m2 space group. The structure is three-dimensional. Ce3+ is bonded in a 3-coordinate geometry to fifteen Pt1- atoms. There are three shorter (3.10 Å) and twelve longer (3.46 Å) Ce–Pt bond lengths. There are two inequivalent Pt1- sites. In the first Pt1- site, Pt1- is bonded to three equivalent Ce3+, six equivalent Pt1-, and three equivalent Cu1+ atoms to form PtCe3Cu3Pt6 cuboctahedra that share corners with twelve equivalent PtCe4Cu2Pt6 cuboctahedra, edges with six equivalent PtCe3Cu3Pt6 cuboctahedra, and faces with twenty PtCe3Cu3Pt6 cuboctahedra. All Pt–Pt bond lengths are 2.69 Å. All Pt–Cu bond lengths are 3.10 Å. In the second Pt1- site, Pt1- is bonded to four equivalent Ce3+, six Pt1-, and two equivalent Cu1+ atoms to form distorted PtCe4Cu2Pt6 cuboctahedra that share corners with twenty PtCe3Cu3Pt6 cuboctahedra, edges with ten equivalent PtCe4Cu2Pt6 cuboctahedra, and faces with sixteen PtCe3Cu3Pt6 cuboctahedra. There are two shorter (2.66 Å) and two longer (2.72 Å) Pt–Pt bond lengths. Both Pt–Cu bond lengths are 2.66 Å. Cu1+ is bonded in a 9-coordinate geometry to nine Pt1- atoms.

Authors:: The Materials Project

Publication Date:: 2020-05-03

Other Number(s):: mp-1226665

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; CeCuPt4; Ce-Cu-Pt

OSTI Identifier:: 1717192

DOI:: https://doi.org/10.17188/1717192

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                    The Materials Project. Materials Data on CeCuPt4 by Materials Project.  United States: N. p., 2020. 
        Web.  doi:10.17188/1717192.

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                    The Materials Project. Materials Data on CeCuPt4 by Materials Project.  United States.  doi:https://doi.org/10.17188/1717192

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                    The Materials Project. 2020.  
"Materials Data on CeCuPt4 by Materials Project".  United States.  doi:https://doi.org/10.17188/1717192.  https://www.osti.gov/servlets/purl/1717192. Pub date:Sun May 03 00:00:00 EDT 2020

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@article{osti_1717192,

  title        = {Materials Data on CeCuPt4 by Materials Project},

  author       = {The Materials Project},

  abstractNote = {CePt4Cu crystallizes in the hexagonal P-6m2 space group. The structure is three-dimensional. Ce3+ is bonded in a 3-coordinate geometry to fifteen Pt1- atoms. There are three shorter (3.10 Å) and twelve longer (3.46 Å) Ce–Pt bond lengths. There are two inequivalent Pt1- sites. In the first Pt1- site, Pt1- is bonded to three equivalent Ce3+, six equivalent Pt1-, and three equivalent Cu1+ atoms to form PtCe3Cu3Pt6 cuboctahedra that share corners with twelve equivalent PtCe4Cu2Pt6 cuboctahedra, edges with six equivalent PtCe3Cu3Pt6 cuboctahedra, and faces with twenty PtCe3Cu3Pt6 cuboctahedra. All Pt–Pt bond lengths are 2.69 Å. All Pt–Cu bond lengths are 3.10 Å. In the second Pt1- site, Pt1- is bonded to four equivalent Ce3+, six Pt1-, and two equivalent Cu1+ atoms to form distorted PtCe4Cu2Pt6 cuboctahedra that share corners with twenty PtCe3Cu3Pt6 cuboctahedra, edges with ten equivalent PtCe4Cu2Pt6 cuboctahedra, and faces with sixteen PtCe3Cu3Pt6 cuboctahedra. There are two shorter (2.66 Å) and two longer (2.72 Å) Pt–Pt bond lengths. Both Pt–Cu bond lengths are 2.66 Å. Cu1+ is bonded in a 9-coordinate geometry to nine Pt1- atoms.},

  doi          = {10.17188/1717192},

  journal      = {},

  number       = ,

  volume       = ,

  place        = {United States},

  year         = {2020},

  month        = {5}

}

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DOI: https://doi.org/10.17188/1717192

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