Materials Data on SmBN2 by Materials Project

doi:10.17188/1709744

Title: Materials Data on SmBN2 by Materials Project

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Abstract

SmBN2 crystallizes in the trigonal R3c space group. The structure is three-dimensional. Sm3+ is bonded to seven N3- atoms to form a mixture of distorted edge, face, and corner-sharing SmN7 pentagonal bipyramids. There are a spread of Sm–N bond distances ranging from 2.47–2.64 Å. B3+ is bonded in a trigonal planar geometry to three N3- atoms. There is two shorter (1.47 Å) and one longer (1.48 Å) B–N bond length. There are two inequivalent N3- sites. In the first N3- site, N3- is bonded in a distorted bent 120 degrees geometry to two equivalent Sm3+ and two equivalent B3+ atoms. In the second N3- site, N3- is bonded in a distorted single-bond geometry to five equivalent Sm3+ and one B3+ atom.

Authors:: The Materials Project

Publication Date:: 2020-05-02

Other Number(s):: mp-1192040

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; SmBN2; B-N-Sm

OSTI Identifier:: 1709744

DOI:: https://doi.org/10.17188/1709744

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                    The Materials Project. Materials Data on SmBN2 by Materials Project.  United States: N. p., 2020. 
        Web.  doi:10.17188/1709744.

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                    The Materials Project. Materials Data on SmBN2 by Materials Project.  United States.  doi:https://doi.org/10.17188/1709744

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                    The Materials Project. 2020.  
"Materials Data on SmBN2 by Materials Project".  United States.  doi:https://doi.org/10.17188/1709744.  https://www.osti.gov/servlets/purl/1709744. Pub date:Sat May 02 00:00:00 EDT 2020

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@article{osti_1709744,

  title        = {Materials Data on SmBN2 by Materials Project},

  author       = {The Materials Project},

  abstractNote = {SmBN2 crystallizes in the trigonal R3c space group. The structure is three-dimensional. Sm3+ is bonded to seven N3- atoms to form a mixture of distorted edge, face, and corner-sharing SmN7 pentagonal bipyramids. There are a spread of Sm–N bond distances ranging from 2.47–2.64 Å. B3+ is bonded in a trigonal planar geometry to three N3- atoms. There is two shorter (1.47 Å) and one longer (1.48 Å) B–N bond length. There are two inequivalent N3- sites. In the first N3- site, N3- is bonded in a distorted bent 120 degrees geometry to two equivalent Sm3+ and two equivalent B3+ atoms. In the second N3- site, N3- is bonded in a distorted single-bond geometry to five equivalent Sm3+ and one B3+ atom.},

  doi          = {10.17188/1709744},

  journal      = {},

  number       = ,

  volume       = ,

  place        = {United States},

  year         = {2020},

  month        = {5}

}

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DOI: https://doi.org/10.17188/1709744

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