Materials Data on Na3MoNO3 by Materials Project

doi:10.17188/1193927

Title: Materials Data on Na3MoNO3 by Materials Project

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Abstract

Na3MoNO3 is Stannite-like structured and crystallizes in the orthorhombic Pmn2_1 space group. The structure is three-dimensional. there are two inequivalent Na1+ sites. In the first Na1+ site, Na1+ is bonded to one N3- and three O2- atoms to form NaNO3 tetrahedra that share corners with four equivalent MoNO3 tetrahedra and corners with eight equivalent NaNO3 tetrahedra. The Na–N bond length is 2.39 Å. There are one shorter (2.37 Å) and two longer (2.39 Å) Na–O bond lengths. In the second Na1+ site, Na1+ is bonded to one N3- and three O2- atoms to form NaNO3 tetrahedra that share corners with four equivalent MoNO3 tetrahedra and corners with eight NaNO3 tetrahedra. The Na–N bond length is 2.36 Å. There are a spread of Na–O bond distances ranging from 2.32–2.35 Å. Mo6+ is bonded to one N3- and three O2- atoms to form MoNO3 tetrahedra that share corners with twelve NaNO3 tetrahedra. The Mo–N bond length is 1.75 Å. There is one shorter (1.86 Å) and two longer (1.87 Å) Mo–O bond length. N3- is bonded to three Na1+ and one Mo6+ atom to form NNa3Mo tetrahedra that share corners with twelve ONa3Mo tetrahedra. There are two inequivalent O2- sites. In themore »« less

Authors:: The Materials Project

Publication Date:: Wed Jul 15 00:00:00 EDT 2020

Other Number(s):: mp-19105

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; Na3MoNO3; Mo-N-Na-O

OSTI Identifier:: 1193927

DOI:: https://doi.org/10.17188/1193927

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                    The Materials Project. Materials Data on Na3MoNO3 by Materials Project.  United States: N. p., 2020. 
        Web.  doi:10.17188/1193927.

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                    The Materials Project. Materials Data on Na3MoNO3 by Materials Project.  United States.  doi:https://doi.org/10.17188/1193927

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                    The Materials Project. 2020.  
"Materials Data on Na3MoNO3 by Materials Project".  United States.  doi:https://doi.org/10.17188/1193927.  https://www.osti.gov/servlets/purl/1193927. Pub date:Wed Jul 15 00:00:00 EDT 2020

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@article{osti_1193927,

  title        = {Materials Data on Na3MoNO3 by Materials Project},

  author       = {The Materials Project},

  abstractNote = {Na3MoNO3 is Stannite-like structured and crystallizes in the orthorhombic Pmn2_1 space group. The structure is three-dimensional. there are two inequivalent Na1+ sites. In the first Na1+ site, Na1+ is bonded to one N3- and three O2- atoms to form NaNO3 tetrahedra that share corners with four equivalent MoNO3 tetrahedra and corners with eight equivalent NaNO3 tetrahedra. The Na–N bond length is 2.39 Å. There are one shorter (2.37 Å) and two longer (2.39 Å) Na–O bond lengths. In the second Na1+ site, Na1+ is bonded to one N3- and three O2- atoms to form NaNO3 tetrahedra that share corners with four equivalent MoNO3 tetrahedra and corners with eight NaNO3 tetrahedra. The Na–N bond length is 2.36 Å. There are a spread of Na–O bond distances ranging from 2.32–2.35 Å. Mo6+ is bonded to one N3- and three O2- atoms to form MoNO3 tetrahedra that share corners with twelve NaNO3 tetrahedra. The Mo–N bond length is 1.75 Å. There is one shorter (1.86 Å) and two longer (1.87 Å) Mo–O bond length. N3- is bonded to three Na1+ and one Mo6+ atom to form NNa3Mo tetrahedra that share corners with twelve ONa3Mo tetrahedra. There are two inequivalent O2- sites. In the first O2- site, O2- is bonded to three Na1+ and one Mo6+ atom to form distorted ONa3Mo tetrahedra that share corners with four equivalent NNa3Mo tetrahedra and corners with eight ONa3Mo tetrahedra. In the second O2- site, O2- is bonded to three Na1+ and one Mo6+ atom to form distorted ONa3Mo tetrahedra that share corners with four equivalent NNa3Mo tetrahedra and corners with eight equivalent ONa3Mo tetrahedra.},

  doi          = {10.17188/1193927},

  journal      = {},

  number       = ,

  volume       = ,

  place        = {United States},

  year         = {Wed Jul 15 00:00:00 EDT 2020},

  month        = {Wed Jul 15 00:00:00 EDT 2020}

}

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DOI: https://doi.org/10.17188/1193927

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