Materials Data on Na2MnN2 by Materials Project

doi:10.17188/1672129

Title: Materials Data on Na2MnN2 by Materials Project

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Abstract

Na2MnN2 crystallizes in the orthorhombic Pnma space group. The structure is three-dimensional. there are two inequivalent Na1+ sites. In the first Na1+ site, Na1+ is bonded in a distorted T-shaped geometry to three N3- atoms. There are one shorter (2.41 Å) and two longer (2.51 Å) Na–N bond lengths. In the second Na1+ site, Na1+ is bonded in a 5-coordinate geometry to five N3- atoms. There are a spread of Na–N bond distances ranging from 2.53–2.81 Å. Mn4+ is bonded in a trigonal planar geometry to three N3- atoms. There are a spread of Mn–N bond distances ranging from 1.62–1.76 Å. There are two inequivalent N3- sites. In the first N3- site, N3- is bonded in a 6-coordinate geometry to four Na1+ and two equivalent Mn4+ atoms. In the second N3- site, N3- is bonded in a 5-coordinate geometry to four Na1+ and one Mn4+ atom.

Authors:: The Materials Project

Publication Date:: Wed Mar 27 00:00:00 EDT 2019

Other Number(s):: mp-1029605

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; Na2MnN2; Mn-N-Na

OSTI Identifier:: 1672129

DOI:: https://doi.org/10.17188/1672129

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                    The Materials Project. Materials Data on Na2MnN2 by Materials Project.  United States: N. p., 2019. 
        Web.  doi:10.17188/1672129.

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                    The Materials Project. Materials Data on Na2MnN2 by Materials Project.  United States.  doi:https://doi.org/10.17188/1672129

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                    The Materials Project. 2019.  
"Materials Data on Na2MnN2 by Materials Project".  United States.  doi:https://doi.org/10.17188/1672129.  https://www.osti.gov/servlets/purl/1672129. Pub date:Wed Mar 27 00:00:00 EDT 2019

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@article{osti_1672129,

  title        = {Materials Data on Na2MnN2 by Materials Project},

  author       = {The Materials Project},

  abstractNote = {Na2MnN2 crystallizes in the orthorhombic Pnma space group. The structure is three-dimensional. there are two inequivalent Na1+ sites. In the first Na1+ site, Na1+ is bonded in a distorted T-shaped geometry to three N3- atoms. There are one shorter (2.41 Å) and two longer (2.51 Å) Na–N bond lengths. In the second Na1+ site, Na1+ is bonded in a 5-coordinate geometry to five N3- atoms. There are a spread of Na–N bond distances ranging from 2.53–2.81 Å. Mn4+ is bonded in a trigonal planar geometry to three N3- atoms. There are a spread of Mn–N bond distances ranging from 1.62–1.76 Å. There are two inequivalent N3- sites. In the first N3- site, N3- is bonded in a 6-coordinate geometry to four Na1+ and two equivalent Mn4+ atoms. In the second N3- site, N3- is bonded in a 5-coordinate geometry to four Na1+ and one Mn4+ atom.},

  doi          = {10.17188/1672129},

  journal      = {},

  number       = ,

  volume       = ,

  place        = {United States},

  year         = {Wed Mar 27 00:00:00 EDT 2019},

  month        = {Wed Mar 27 00:00:00 EDT 2019}

}

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DOI: https://doi.org/10.17188/1672129

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