Materials Data on SN by Materials Project

doi:10.17188/1691435

Title: Materials Data on SN by Materials Project

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Abstract

NS crystallizes in the orthorhombic Pnma space group. The structure is zero-dimensional and consists of four 1,3,5,7,2,4,6,8-tetrathiatetrazocane molecules. there are three inequivalent N1+ sites. In the first N1+ site, N1+ is bonded in a bent 150 degrees geometry to two equivalent S1- atoms. Both N–S bond lengths are 1.59 Å. In the second N1+ site, N1+ is bonded in a bent 150 degrees geometry to two equivalent S1- atoms. Both N–S bond lengths are 1.60 Å. In the third N1+ site, N1+ is bonded in a bent 150 degrees geometry to two S1- atoms. There is one shorter (1.59 Å) and one longer (1.60 Å) N–S bond length. There are two inequivalent S1- sites. In the first S1- site, S1- is bonded in a bent 120 degrees geometry to two N1+ atoms. In the second S1- site, S1- is bonded in a bent 120 degrees geometry to two N1+ atoms.

Authors:: The Materials Project

Publication Date:: 2020-05-02

Other Number(s):: mp-1196421

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; SN; N-S

OSTI Identifier:: 1691435

DOI:: https://doi.org/10.17188/1691435

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                    The Materials Project. Materials Data on SN by Materials Project.  United States: N. p., 2020. 
        Web.  doi:10.17188/1691435.

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                    The Materials Project. Materials Data on SN by Materials Project.  United States.  doi:https://doi.org/10.17188/1691435

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                    The Materials Project. 2020.  
"Materials Data on SN by Materials Project".  United States.  doi:https://doi.org/10.17188/1691435.  https://www.osti.gov/servlets/purl/1691435. Pub date:Sat May 02 00:00:00 EDT 2020

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@article{osti_1691435,

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

  author       = {The Materials Project},

  abstractNote = {NS crystallizes in the orthorhombic Pnma space group. The structure is zero-dimensional and consists of four 1,3,5,7,2,4,6,8-tetrathiatetrazocane molecules. there are three inequivalent N1+ sites. In the first N1+ site, N1+ is bonded in a bent 150 degrees geometry to two equivalent S1- atoms. Both N–S bond lengths are 1.59 Å. In the second N1+ site, N1+ is bonded in a bent 150 degrees geometry to two equivalent S1- atoms. Both N–S bond lengths are 1.60 Å. In the third N1+ site, N1+ is bonded in a bent 150 degrees geometry to two S1- atoms. There is one shorter (1.59 Å) and one longer (1.60 Å) N–S bond length. There are two inequivalent S1- sites. In the first S1- site, S1- is bonded in a bent 120 degrees geometry to two N1+ atoms. In the second S1- site, S1- is bonded in a bent 120 degrees geometry to two N1+ atoms.},

  doi          = {10.17188/1691435},

  journal      = {},

  number       = ,

  volume       = ,

  place        = {United States},

  year         = {2020},

  month        = {5}

}

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DOI: https://doi.org/10.17188/1691435

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