Materials Data on Na3Rh by Materials Project

doi:10.17188/1678040

Title: Materials Data on Na3Rh by Materials Project

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Abstract

Na3Rh is alpha bismuth trifluoride structured and crystallizes in the tetragonal I4/mmm space group. The structure is three-dimensional. there are two inequivalent Na sites. In the first Na site, Na is bonded in a 12-coordinate geometry to four equivalent Na and four equivalent Rh atoms. All Na–Na bond lengths are 3.14 Å. All Na–Rh bond lengths are 3.14 Å. In the second Na site, Na is bonded to eight equivalent Na and four equivalent Rh atoms to form distorted NaNa8Rh4 cuboctahedra that share corners with four equivalent NaNa8Rh4 cuboctahedra, corners with eight equivalent RhNa12 cuboctahedra, edges with eight equivalent NaNa8Rh4 cuboctahedra, faces with four equivalent NaNa8Rh4 cuboctahedra, and faces with six equivalent RhNa12 cuboctahedra. All Na–Rh bond lengths are 3.24 Å. Rh is bonded to twelve Na atoms to form RhNa12 cuboctahedra that share corners with four equivalent RhNa12 cuboctahedra, corners with eight equivalent NaNa8Rh4 cuboctahedra, edges with eight equivalent RhNa12 cuboctahedra, faces with four equivalent RhNa12 cuboctahedra, and faces with six equivalent NaNa8Rh4 cuboctahedra.

Authors:: The Materials Project

Publication Date:: 2020-05-02

Other Number(s):: mp-1186072

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; Na3Rh; Na-Rh

OSTI Identifier:: 1678040

DOI:: https://doi.org/10.17188/1678040

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                    The Materials Project. Materials Data on Na3Rh by Materials Project.  United States: N. p., 2020. 
        Web.  doi:10.17188/1678040.

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                    The Materials Project. Materials Data on Na3Rh by Materials Project.  United States.  doi:https://doi.org/10.17188/1678040

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                    The Materials Project. 2020.  
"Materials Data on Na3Rh by Materials Project".  United States.  doi:https://doi.org/10.17188/1678040.  https://www.osti.gov/servlets/purl/1678040. Pub date:Sat May 02 00:00:00 EDT 2020

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@article{osti_1678040,

  title        = {Materials Data on Na3Rh by Materials Project},

  author       = {The Materials Project},

  abstractNote = {Na3Rh is alpha bismuth trifluoride structured and crystallizes in the tetragonal I4/mmm space group. The structure is three-dimensional. there are two inequivalent Na sites. In the first Na site, Na is bonded in a 12-coordinate geometry to four equivalent Na and four equivalent Rh atoms. All Na–Na bond lengths are 3.14 Å. All Na–Rh bond lengths are 3.14 Å. In the second Na site, Na is bonded to eight equivalent Na and four equivalent Rh atoms to form distorted NaNa8Rh4 cuboctahedra that share corners with four equivalent NaNa8Rh4 cuboctahedra, corners with eight equivalent RhNa12 cuboctahedra, edges with eight equivalent NaNa8Rh4 cuboctahedra, faces with four equivalent NaNa8Rh4 cuboctahedra, and faces with six equivalent RhNa12 cuboctahedra. All Na–Rh bond lengths are 3.24 Å. Rh is bonded to twelve Na atoms to form RhNa12 cuboctahedra that share corners with four equivalent RhNa12 cuboctahedra, corners with eight equivalent NaNa8Rh4 cuboctahedra, edges with eight equivalent RhNa12 cuboctahedra, faces with four equivalent RhNa12 cuboctahedra, and faces with six equivalent NaNa8Rh4 cuboctahedra.},

  doi          = {10.17188/1678040},

  journal      = {},

  number       = ,

  volume       = ,

  place        = {United States},

  year         = {2020},

  month        = {5}

}

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DOI: https://doi.org/10.17188/1678040

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