Materials Data on NaAs by Materials Project

doi:10.17188/1685623

Title: Materials Data on NaAs by Materials Project

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Abstract

NaAs crystallizes in the monoclinic P2_1/c space group. The structure is three-dimensional. there are two inequivalent Na1+ sites. In the first Na1+ site, Na1+ is bonded in a 6-coordinate geometry to six As1- atoms. There are a spread of Na–As bond distances ranging from 3.04–3.17 Å. In the second Na1+ site, Na1+ is bonded in a 6-coordinate geometry to six As1- atoms. There are a spread of Na–As bond distances ranging from 3.08–3.26 Å. There are two inequivalent As1- sites. In the first As1- site, As1- is bonded in a 8-coordinate geometry to six Na1+ and two equivalent As1- atoms. There are one shorter (2.49 Å) and one longer (2.53 Å) As–As bond lengths. In the second As1- site, As1- is bonded in a 8-coordinate geometry to six Na1+ and two equivalent As1- atoms.

Authors:: The Materials Project

Publication Date:: 2020-05-09

Other Number(s):: mp-1106381

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; NaAs; As-Na

OSTI Identifier:: 1685623

DOI:: https://doi.org/10.17188/1685623

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                    The Materials Project. Materials Data on NaAs by Materials Project.  United States: N. p., 2020. 
        Web.  doi:10.17188/1685623.

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                    The Materials Project. Materials Data on NaAs by Materials Project.  United States.  doi:https://doi.org/10.17188/1685623

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                    The Materials Project. 2020.  
"Materials Data on NaAs by Materials Project".  United States.  doi:https://doi.org/10.17188/1685623.  https://www.osti.gov/servlets/purl/1685623. Pub date:Sat May 09 00:00:00 EDT 2020

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@article{osti_1685623,

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

  author       = {The Materials Project},

  abstractNote = {NaAs crystallizes in the monoclinic P2_1/c space group. The structure is three-dimensional. there are two inequivalent Na1+ sites. In the first Na1+ site, Na1+ is bonded in a 6-coordinate geometry to six As1- atoms. There are a spread of Na–As bond distances ranging from 3.04–3.17 Å. In the second Na1+ site, Na1+ is bonded in a 6-coordinate geometry to six As1- atoms. There are a spread of Na–As bond distances ranging from 3.08–3.26 Å. There are two inequivalent As1- sites. In the first As1- site, As1- is bonded in a 8-coordinate geometry to six Na1+ and two equivalent As1- atoms. There are one shorter (2.49 Å) and one longer (2.53 Å) As–As bond lengths. In the second As1- site, As1- is bonded in a 8-coordinate geometry to six Na1+ and two equivalent As1- atoms.},

  doi          = {10.17188/1685623},

  journal      = {},

  number       = ,

  volume       = ,

  place        = {United States},

  year         = {2020},

  month        = {5}

}

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DOI: https://doi.org/10.17188/1685623

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