Materials Data on NaC2NO3 by Materials Project

doi:10.17188/1651744

Title: Materials Data on NaC2NO3 by Materials Project

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Abstract

NaC2NO3 crystallizes in the monoclinic P2_1/c space group. The structure is two-dimensional and consists of two NaC2NO3 sheets oriented in the (0, 0, 1) direction. Na1+ is bonded in a 6-coordinate geometry to six O2- atoms. There are a spread of Na–O bond distances ranging from 2.35–2.81 Å. There are two inequivalent C4+ sites. In the first C4+ site, C4+ is bonded in a linear geometry to one N3- and one O2- atom. The C–N bond length is 1.22 Å. The C–O bond length is 1.18 Å. In the second C4+ site, C4+ is bonded in a trigonal planar geometry to one N3- and two O2- atoms. The C–N bond length is 1.44 Å. There is one shorter (1.26 Å) and one longer (1.27 Å) C–O bond length. N3- is bonded in a bent 120 degrees geometry to two C4+ atoms. There are three inequivalent O2- sites. In the first O2- site, O2- is bonded in a single-bond geometry to one C4+ atom. In the second O2- site, O2- is bonded in a 1-coordinate geometry to three equivalent Na1+ and one C4+ atom. In the third O2- site, O2- is bonded in a 1-coordinate geometry to three equivalent Na1+ andmore » one C4+ atom.« less

Authors:: The Materials Project

Publication Date:: 2020-07-23

Other Number(s):: mp-1193256

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; NaC2NO3; C-N-Na-O

OSTI Identifier:: 1651744

DOI:: https://doi.org/10.17188/1651744

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                    The Materials Project. Materials Data on NaC2NO3 by Materials Project.  United States: N. p., 2020. 
        Web.  doi:10.17188/1651744.

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                    The Materials Project. Materials Data on NaC2NO3 by Materials Project.  United States.  doi:https://doi.org/10.17188/1651744

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                    The Materials Project. 2020.  
"Materials Data on NaC2NO3 by Materials Project".  United States.  doi:https://doi.org/10.17188/1651744.  https://www.osti.gov/servlets/purl/1651744. Pub date:Thu Jul 23 00:00:00 EDT 2020

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@article{osti_1651744,

  title        = {Materials Data on NaC2NO3 by Materials Project},

  author       = {The Materials Project},

  abstractNote = {NaC2NO3 crystallizes in the monoclinic P2_1/c space group. The structure is two-dimensional and consists of two NaC2NO3 sheets oriented in the (0, 0, 1) direction. Na1+ is bonded in a 6-coordinate geometry to six O2- atoms. There are a spread of Na–O bond distances ranging from 2.35–2.81 Å. There are two inequivalent C4+ sites. In the first C4+ site, C4+ is bonded in a linear geometry to one N3- and one O2- atom. The C–N bond length is 1.22 Å. The C–O bond length is 1.18 Å. In the second C4+ site, C4+ is bonded in a trigonal planar geometry to one N3- and two O2- atoms. The C–N bond length is 1.44 Å. There is one shorter (1.26 Å) and one longer (1.27 Å) C–O bond length. N3- is bonded in a bent 120 degrees geometry to two C4+ atoms. There are three inequivalent O2- sites. In the first O2- site, O2- is bonded in a single-bond geometry to one C4+ atom. In the second O2- site, O2- is bonded in a 1-coordinate geometry to three equivalent Na1+ and one C4+ atom. In the third O2- site, O2- is bonded in a 1-coordinate geometry to three equivalent Na1+ and one C4+ atom.},

  doi          = {10.17188/1651744},

  journal      = {},

  number       = ,

  volume       = ,

  place        = {United States},

  year         = {2020},

  month        = {7}

}

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DOI: https://doi.org/10.17188/1651744

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