Materials Data on Na(MoSe)3 by Materials Project

doi:10.17188/1752500

Title: Materials Data on Na(MoSe)3 by Materials Project

Dataset
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Abstract

Na(MoSe)3 crystallizes in the hexagonal P6_3/m space group. The structure is three-dimensional. Na is bonded in a 9-coordinate geometry to nine equivalent Se atoms. There are three shorter (3.26 Å) and six longer (3.44 Å) Na–Se bond lengths. Mo is bonded in a distorted see-saw-like geometry to four equivalent Se atoms. There are a spread of Mo–Se bond distances ranging from 2.64–2.72 Å. Se is bonded in a 7-coordinate geometry to three equivalent Na and four equivalent Mo atoms.

Publication Date:: Sat May 02 00:00:00 EDT 2020

Other Number(s):: mp-1103846

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; Mo-Na-Se; Na(MoSe)3; crystal structure

OSTI Identifier:: 1752500

DOI:: https://doi.org/10.17188/1752500

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                    Materials Data on Na(MoSe)3 by Materials Project.  United States: N. p., 2020. 
        Web.  doi:10.17188/1752500.

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                    Materials Data on Na(MoSe)3 by Materials Project.  United States.  doi:https://doi.org/10.17188/1752500

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                    2020.  
"Materials Data on Na(MoSe)3 by Materials Project".  United States.  doi:https://doi.org/10.17188/1752500.  https://www.osti.gov/servlets/purl/1752500. Pub date:Sat May 02 00:00:00 EDT 2020

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@article{osti_1752500,

  title        = {Materials Data on Na(MoSe)3 by Materials Project},

  
  abstractNote = {Na(MoSe)3 crystallizes in the hexagonal P6_3/m space group. The structure is three-dimensional. Na is bonded in a 9-coordinate geometry to nine equivalent Se atoms. There are three shorter (3.26 Å) and six longer (3.44 Å) Na–Se bond lengths. Mo is bonded in a distorted see-saw-like geometry to four equivalent Se atoms. There are a spread of Mo–Se bond distances ranging from 2.64–2.72 Å. Se is bonded in a 7-coordinate geometry to three equivalent Na and four equivalent Mo atoms.},

  doi          = {10.17188/1752500},

  journal      = {},

  number       = ,

  volume       = ,

  place        = {United States},

  year         = {Sat May 02 00:00:00 EDT 2020},

  month        = {Sat May 02 00:00:00 EDT 2020}

}

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DOI: https://doi.org/10.17188/1752500

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