Materials Data on Na3Hg by Materials Project

doi:10.17188/1689147

Title: Materials Data on Na3Hg by Materials Project

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Abstract

Na3Hg is Uranium Silicide-like 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 to four equivalent Hg atoms to form a mixture of distorted edge and corner-sharing NaHg4 cuboctahedra. All Na–Hg bond lengths are 3.49 Å. In the second Na site, Na is bonded in a distorted square co-planar geometry to four equivalent Hg atoms. All Na–Hg bond lengths are 3.41 Å. Hg is bonded to twelve Na atoms to form a mixture of face, edge, and corner-sharing HgNa12 cuboctahedra.

Authors:: The Materials Project

Publication Date:: 2020-05-02

Other Number(s):: mp-1186050

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; Na3Hg; Hg-Na

OSTI Identifier:: 1689147

DOI:: https://doi.org/10.17188/1689147

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                    The Materials Project. Materials Data on Na3Hg by Materials Project.  United States: N. p., 2020. 
        Web.  doi:10.17188/1689147.

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                    The Materials Project. Materials Data on Na3Hg by Materials Project.  United States.  doi:https://doi.org/10.17188/1689147

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                    The Materials Project. 2020.  
"Materials Data on Na3Hg by Materials Project".  United States.  doi:https://doi.org/10.17188/1689147.  https://www.osti.gov/servlets/purl/1689147. Pub date:Sat May 02 00:00:00 EDT 2020

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@article{osti_1689147,

  title        = {Materials Data on Na3Hg by Materials Project},

  author       = {The Materials Project},

  abstractNote = {Na3Hg is Uranium Silicide-like 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 to four equivalent Hg atoms to form a mixture of distorted edge and corner-sharing NaHg4 cuboctahedra. All Na–Hg bond lengths are 3.49 Å. In the second Na site, Na is bonded in a distorted square co-planar geometry to four equivalent Hg atoms. All Na–Hg bond lengths are 3.41 Å. Hg is bonded to twelve Na atoms to form a mixture of face, edge, and corner-sharing HgNa12 cuboctahedra.},

  doi          = {10.17188/1689147},

  journal      = {},

  number       = ,

  volume       = ,

  place        = {United States},

  year         = {2020},

  month        = {5}

}

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DOI: https://doi.org/10.17188/1689147

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