Materials Data on Na3Ca by Materials Project

doi:10.17188/1694859

Title: Materials Data on Na3Ca by Materials Project

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Abstract

Na3Ca is Uranium Silicide structured and crystallizes in the cubic Pm-3m space group. The structure is three-dimensional. Na is bonded to eight equivalent Na and four equivalent Ca atoms to form NaNa8Ca4 cuboctahedra that share corners with twelve equivalent NaNa8Ca4 cuboctahedra, edges with eight equivalent CaNa12 cuboctahedra, edges with sixteen equivalent NaNa8Ca4 cuboctahedra, faces with four equivalent CaNa12 cuboctahedra, and faces with fourteen equivalent NaNa8Ca4 cuboctahedra. All Na–Na bond lengths are 3.79 Å. All Na–Ca bond lengths are 3.79 Å. Ca is bonded to twelve equivalent Na atoms to form CaNa12 cuboctahedra that share corners with twelve equivalent CaNa12 cuboctahedra, edges with twenty-four equivalent NaNa8Ca4 cuboctahedra, faces with six equivalent CaNa12 cuboctahedra, and faces with twelve equivalent NaNa8Ca4 cuboctahedra.

Authors:: The Materials Project

Publication Date:: 2020-05-02

Other Number(s):: mp-1186032

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; Na3Ca; Ca-Na

OSTI Identifier:: 1694859

DOI:: https://doi.org/10.17188/1694859

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                    The Materials Project. Materials Data on Na3Ca by Materials Project.  United States: N. p., 2020. 
        Web.  doi:10.17188/1694859.

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                    The Materials Project. Materials Data on Na3Ca by Materials Project.  United States.  doi:https://doi.org/10.17188/1694859

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                    The Materials Project. 2020.  
"Materials Data on Na3Ca by Materials Project".  United States.  doi:https://doi.org/10.17188/1694859.  https://www.osti.gov/servlets/purl/1694859. Pub date:Sat May 02 00:00:00 EDT 2020

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@article{osti_1694859,

  title        = {Materials Data on Na3Ca by Materials Project},

  author       = {The Materials Project},

  abstractNote = {Na3Ca is Uranium Silicide structured and crystallizes in the cubic Pm-3m space group. The structure is three-dimensional. Na is bonded to eight equivalent Na and four equivalent Ca atoms to form NaNa8Ca4 cuboctahedra that share corners with twelve equivalent NaNa8Ca4 cuboctahedra, edges with eight equivalent CaNa12 cuboctahedra, edges with sixteen equivalent NaNa8Ca4 cuboctahedra, faces with four equivalent CaNa12 cuboctahedra, and faces with fourteen equivalent NaNa8Ca4 cuboctahedra. All Na–Na bond lengths are 3.79 Å. All Na–Ca bond lengths are 3.79 Å. Ca is bonded to twelve equivalent Na atoms to form CaNa12 cuboctahedra that share corners with twelve equivalent CaNa12 cuboctahedra, edges with twenty-four equivalent NaNa8Ca4 cuboctahedra, faces with six equivalent CaNa12 cuboctahedra, and faces with twelve equivalent NaNa8Ca4 cuboctahedra.},

  doi          = {10.17188/1694859},

  journal      = {},

  number       = ,

  volume       = ,

  place        = {United States},

  year         = {2020},

  month        = {5}

}

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DOI: https://doi.org/10.17188/1694859

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