Materials Data on S2N by Materials Project

doi:10.17188/1200844

Title: Materials Data on S2N by Materials Project

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Abstract

NS2 crystallizes in the tetragonal P4_2nm space group. The structure is zero-dimensional and consists of four 1,2,3,5,4,6-tetrathiadiazinane molecules. N3+ is bonded in a bent 120 degrees geometry to two S+1.50- atoms. There is one shorter (1.58 Å) and one longer (1.66 Å) N–S bond length. There are three inequivalent S+1.50- sites. In the first S+1.50- site, S+1.50- is bonded in a distorted single-bond geometry to one N3+ and one S+1.50- atom. The S–S bond length is 2.08 Å. In the second S+1.50- site, S+1.50- is bonded in a water-like geometry to two equivalent S+1.50- atoms. In the third S+1.50- site, S+1.50- is bonded in a bent 120 degrees geometry to two equivalent N3+ atoms.

Authors:: The Materials Project

Publication Date:: Thu Jul 23 00:00:00 EDT 2020

Other Number(s):: mp-2565

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; S2N; N-S

OSTI Identifier:: 1200844

DOI:: https://doi.org/10.17188/1200844

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                    The Materials Project. Materials Data on S2N by Materials Project.  United States: N. p., 2020. 
        Web.  doi:10.17188/1200844.

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                    The Materials Project. Materials Data on S2N by Materials Project.  United States.  doi:https://doi.org/10.17188/1200844

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                    The Materials Project. 2020.  
"Materials Data on S2N by Materials Project".  United States.  doi:https://doi.org/10.17188/1200844.  https://www.osti.gov/servlets/purl/1200844. Pub date:Thu Jul 23 00:00:00 EDT 2020

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@article{osti_1200844,

  title        = {Materials Data on S2N by Materials Project},

  author       = {The Materials Project},

  abstractNote = {NS2 crystallizes in the tetragonal P4_2nm space group. The structure is zero-dimensional and consists of four 1,2,3,5,4,6-tetrathiadiazinane molecules. N3+ is bonded in a bent 120 degrees geometry to two S+1.50- atoms. There is one shorter (1.58 Å) and one longer (1.66 Å) N–S bond length. There are three inequivalent S+1.50- sites. In the first S+1.50- site, S+1.50- is bonded in a distorted single-bond geometry to one N3+ and one S+1.50- atom. The S–S bond length is 2.08 Å. In the second S+1.50- site, S+1.50- is bonded in a water-like geometry to two equivalent S+1.50- atoms. In the third S+1.50- site, S+1.50- is bonded in a bent 120 degrees geometry to two equivalent N3+ atoms.},

  doi          = {10.17188/1200844},

  journal      = {},

  number       = ,

  volume       = ,

  place        = {United States},

  year         = {Thu Jul 23 00:00:00 EDT 2020},

  month        = {Thu Jul 23 00:00:00 EDT 2020}

}

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DOI: https://doi.org/10.17188/1200844

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