Materials Data on NaCu by Materials Project

doi:10.17188/1315175

Title: Materials Data on NaCu by Materials Project

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Abstract

NaCu crystallizes in the hexagonal P-6m2 space group. The structure is three-dimensional. Na is bonded to six equivalent Na and six equivalent Cu atoms to form distorted NaNa6Cu6 cuboctahedra that share corners with eighteen equivalent NaNa6Cu6 cuboctahedra, edges with six equivalent NaNa6Cu6 cuboctahedra, edges with twelve equivalent CuNa6Cu6 cuboctahedra, faces with eight equivalent NaNa6Cu6 cuboctahedra, and faces with twelve equivalent CuNa6Cu6 cuboctahedra. All Na–Na bond lengths are 2.84 Å. All Na–Cu bond lengths are 2.97 Å. Cu is bonded to six equivalent Na and six equivalent Cu atoms to form distorted CuNa6Cu6 cuboctahedra that share corners with eighteen equivalent CuNa6Cu6 cuboctahedra, edges with six equivalent CuNa6Cu6 cuboctahedra, edges with twelve equivalent NaNa6Cu6 cuboctahedra, faces with eight equivalent CuNa6Cu6 cuboctahedra, and faces with twelve equivalent NaNa6Cu6 cuboctahedra. All Cu–Cu bond lengths are 2.84 Å.

Authors:: The Materials Project

Publication Date:: Tue Jul 18 00:00:00 EDT 2017

Other Number(s):: mp-976292

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; NaCu; Cu-Na

OSTI Identifier:: 1315175

DOI:: https://doi.org/10.17188/1315175

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                    The Materials Project. Materials Data on NaCu by Materials Project.  United States: N. p., 2017. 
        Web.  doi:10.17188/1315175.

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                    The Materials Project. Materials Data on NaCu by Materials Project.  United States.  doi:https://doi.org/10.17188/1315175

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                    The Materials Project. 2017.  
"Materials Data on NaCu by Materials Project".  United States.  doi:https://doi.org/10.17188/1315175.  https://www.osti.gov/servlets/purl/1315175. Pub date:Tue Jul 18 00:00:00 EDT 2017

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@article{osti_1315175,

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

  author       = {The Materials Project},

  abstractNote = {NaCu crystallizes in the hexagonal P-6m2 space group. The structure is three-dimensional. Na is bonded to six equivalent Na and six equivalent Cu atoms to form distorted NaNa6Cu6 cuboctahedra that share corners with eighteen equivalent NaNa6Cu6 cuboctahedra, edges with six equivalent NaNa6Cu6 cuboctahedra, edges with twelve equivalent CuNa6Cu6 cuboctahedra, faces with eight equivalent NaNa6Cu6 cuboctahedra, and faces with twelve equivalent CuNa6Cu6 cuboctahedra. All Na–Na bond lengths are 2.84 Å. All Na–Cu bond lengths are 2.97 Å. Cu is bonded to six equivalent Na and six equivalent Cu atoms to form distorted CuNa6Cu6 cuboctahedra that share corners with eighteen equivalent CuNa6Cu6 cuboctahedra, edges with six equivalent CuNa6Cu6 cuboctahedra, edges with twelve equivalent NaNa6Cu6 cuboctahedra, faces with eight equivalent CuNa6Cu6 cuboctahedra, and faces with twelve equivalent NaNa6Cu6 cuboctahedra. All Cu–Cu bond lengths are 2.84 Å.},

  doi          = {10.17188/1315175},

  journal      = {},

  number       = ,

  volume       = ,

  place        = {United States},

  year         = {Tue Jul 18 00:00:00 EDT 2017},

  month        = {Tue Jul 18 00:00:00 EDT 2017}

}

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DOI: https://doi.org/10.17188/1315175

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