Materials Data on NaCl by Materials Project

doi:10.17188/1199028

Title: Materials Data on NaCl by Materials Project

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Abstract

NaCl is Halite, Rock Salt structured and crystallizes in the cubic Fm-3m space group. The structure is three-dimensional. Na1+ is bonded to six equivalent Cl1- atoms to form a mixture of edge and corner-sharing NaCl6 octahedra. The corner-sharing octahedral tilt angles are 0°. All Na–Cl bond lengths are 2.85 Å. Cl1- is bonded to six equivalent Na1+ atoms to form a mixture of edge and corner-sharing ClNa6 octahedra. The corner-sharing octahedral tilt angles are 0°.

Publication Date:: 2020-07-15

Other Number(s):: mp-22862

DOE Contract Number:: AC02-05CH11231

Research Org.:: LBNL Materials Project; Lawrence Berkeley National Laboratory (LBNL), Berkeley, CA (United States)

Sponsoring Org.:: USDOE Office of Science (SC), Basic Energy Sciences (BES) (SC-22)

Collaborations:: The Materials Project; MIT; UC Berkeley; Duke; U Louvain

Subject:: 36 MATERIALS SCIENCE; Cl-Na; NaCl; crystal structure

OSTI Identifier:: 1199028

DOI:: https://doi.org/10.17188/1199028

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                    Materials Data on NaCl by Materials Project.  United States: N. p., 2020. 
        Web.  doi:10.17188/1199028.

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                    Materials Data on NaCl by Materials Project.  United States.  doi:https://doi.org/10.17188/1199028

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                    2020.  
"Materials Data on NaCl by Materials Project".  United States.  doi:https://doi.org/10.17188/1199028.  https://www.osti.gov/servlets/purl/1199028. Pub date:Wed Jul 15 00:00:00 EDT 2020

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@article{osti_1199028,

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

  
  abstractNote = {NaCl is Halite, Rock Salt structured and crystallizes in the cubic Fm-3m space group. The structure is three-dimensional. Na1+ is bonded to six equivalent Cl1- atoms to form a mixture of edge and corner-sharing NaCl6 octahedra. The corner-sharing octahedral tilt angles are 0°. All Na–Cl bond lengths are 2.85 Å. Cl1- is bonded to six equivalent Na1+ atoms to form a mixture of edge and corner-sharing ClNa6 octahedra. The corner-sharing octahedral tilt angles are 0°.},

  doi          = {10.17188/1199028},

  journal      = {},

  number       = ,

  volume       = ,

  place        = {United States},

  year         = {2020},

  month        = {7}

}

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DOI: https://doi.org/10.17188/1199028

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