Materials Data on Na3Cl2 by Materials Project

doi:10.17188/1681280

Title: Materials Data on Na3Cl2 by Materials Project

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Abstract

Na3Cl2 crystallizes in the tetragonal P4/m space group. The structure is three-dimensional. there are three inequivalent Na sites. In the first Na site, Na is bonded in a 6-coordinate geometry to two equivalent Na and six equivalent Cl atoms. Both Na–Na bond lengths are 3.36 Å. There are a spread of Na–Cl bond distances ranging from 2.95–3.23 Å. In the second Na site, Na is bonded in a body-centered cubic geometry to eight equivalent Cl atoms. All Na–Cl bond lengths are 3.13 Å. In the third Na site, Na is bonded in a 8-coordinate geometry to ten Na atoms. Both Na–Na bond lengths are 3.71 Å. Cl is bonded in a body-centered cubic geometry to eight Na atoms.

Authors:: The Materials Project

Publication Date:: 2020-05-03

Other Number(s):: mp-1095060

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; Na3Cl2; Cl-Na

OSTI Identifier:: 1681280

DOI:: https://doi.org/10.17188/1681280

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                    The Materials Project. Materials Data on Na3Cl2 by Materials Project.  United States: N. p., 2020. 
        Web.  doi:10.17188/1681280.

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                    The Materials Project. Materials Data on Na3Cl2 by Materials Project.  United States.  doi:https://doi.org/10.17188/1681280

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                    The Materials Project. 2020.  
"Materials Data on Na3Cl2 by Materials Project".  United States.  doi:https://doi.org/10.17188/1681280.  https://www.osti.gov/servlets/purl/1681280. Pub date:Sun May 03 00:00:00 EDT 2020

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@article{osti_1681280,

  title        = {Materials Data on Na3Cl2 by Materials Project},

  author       = {The Materials Project},

  abstractNote = {Na3Cl2 crystallizes in the tetragonal P4/m space group. The structure is three-dimensional. there are three inequivalent Na sites. In the first Na site, Na is bonded in a 6-coordinate geometry to two equivalent Na and six equivalent Cl atoms. Both Na–Na bond lengths are 3.36 Å. There are a spread of Na–Cl bond distances ranging from 2.95–3.23 Å. In the second Na site, Na is bonded in a body-centered cubic geometry to eight equivalent Cl atoms. All Na–Cl bond lengths are 3.13 Å. In the third Na site, Na is bonded in a 8-coordinate geometry to ten Na atoms. Both Na–Na bond lengths are 3.71 Å. Cl is bonded in a body-centered cubic geometry to eight Na atoms.},

  doi          = {10.17188/1681280},

  journal      = {},

  number       = ,

  volume       = ,

  place        = {United States},

  year         = {2020},

  month        = {5}

}

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DOI: https://doi.org/10.17188/1681280

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