Materials Data on Na4ReN3 by Materials Project

doi:10.17188/1187103

Title: Materials Data on Na4ReN3 by Materials Project

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Abstract

Na4ReN3 crystallizes in the monoclinic Cc space group. The structure is three-dimensional. there are four inequivalent Na1+ sites. In the first Na1+ site, Na1+ is bonded in a 3-coordinate geometry to three N3- atoms. There are a spread of Na–N bond distances ranging from 2.45–2.58 Å. In the second Na1+ site, Na1+ is bonded in a trigonal non-coplanar geometry to three N3- atoms. There are a spread of Na–N bond distances ranging from 2.34–2.49 Å. In the third Na1+ site, Na1+ is bonded to four N3- atoms to form a mixture of distorted edge and corner-sharing NaN4 trigonal pyramids. There are a spread of Na–N bond distances ranging from 2.44–2.64 Å. In the fourth Na1+ site, Na1+ is bonded to four N3- atoms to form a mixture of distorted edge and corner-sharing NaN4 trigonal pyramids. There are a spread of Na–N bond distances ranging from 2.47–2.62 Å. Re5+ is bonded in a trigonal planar geometry to three N3- atoms. There are a spread of Re–N bond distances ranging from 1.81–1.83 Å. There are three inequivalent N3- sites. In the first N3- site, N3- is bonded in a 5-coordinate geometry to four Na1+ and one Re5+ atom. In the second N3-more »« less

Authors:: The Materials Project

Publication Date:: Sat May 20 00:00:00 EDT 2017

Other Number(s):: mp-10419

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; Na4ReN3; N-Na-Re

OSTI Identifier:: 1187103

DOI:: https://doi.org/10.17188/1187103

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                    The Materials Project. Materials Data on Na4ReN3 by Materials Project.  United States: N. p., 2017. 
        Web.  doi:10.17188/1187103.

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                    The Materials Project. Materials Data on Na4ReN3 by Materials Project.  United States.  doi:https://doi.org/10.17188/1187103

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                    The Materials Project. 2017.  
"Materials Data on Na4ReN3 by Materials Project".  United States.  doi:https://doi.org/10.17188/1187103.  https://www.osti.gov/servlets/purl/1187103. Pub date:Sat May 20 00:00:00 EDT 2017

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@article{osti_1187103,

  title        = {Materials Data on Na4ReN3 by Materials Project},

  author       = {The Materials Project},

  abstractNote = {Na4ReN3 crystallizes in the monoclinic Cc space group. The structure is three-dimensional. there are four inequivalent Na1+ sites. In the first Na1+ site, Na1+ is bonded in a 3-coordinate geometry to three N3- atoms. There are a spread of Na–N bond distances ranging from 2.45–2.58 Å. In the second Na1+ site, Na1+ is bonded in a trigonal non-coplanar geometry to three N3- atoms. There are a spread of Na–N bond distances ranging from 2.34–2.49 Å. In the third Na1+ site, Na1+ is bonded to four N3- atoms to form a mixture of distorted edge and corner-sharing NaN4 trigonal pyramids. There are a spread of Na–N bond distances ranging from 2.44–2.64 Å. In the fourth Na1+ site, Na1+ is bonded to four N3- atoms to form a mixture of distorted edge and corner-sharing NaN4 trigonal pyramids. There are a spread of Na–N bond distances ranging from 2.47–2.62 Å. Re5+ is bonded in a trigonal planar geometry to three N3- atoms. There are a spread of Re–N bond distances ranging from 1.81–1.83 Å. There are three inequivalent N3- sites. In the first N3- site, N3- is bonded in a 5-coordinate geometry to four Na1+ and one Re5+ atom. In the second N3- site, N3- is bonded in a 6-coordinate geometry to five Na1+ and one Re5+ atom. In the third N3- site, N3- is bonded to five Na1+ and one Re5+ atom to form distorted corner-sharing NNa5Re octahedra. The corner-sharing octahedral tilt angles are 55°.},

  doi          = {10.17188/1187103},

  journal      = {},

  number       = ,

  volume       = ,

  place        = {United States},

  year         = {Sat May 20 00:00:00 EDT 2017},

  month        = {Sat May 20 00:00:00 EDT 2017}

}

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DOI: https://doi.org/10.17188/1187103

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