Materials Data on SbS2N by Materials Project

doi:10.17188/1684352

Title: Materials Data on SbS2N by Materials Project

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Abstract

SbNS2 is alpha Np-like structured and crystallizes in the triclinic P-1 space group. The structure is zero-dimensional and consists of two SbNS2 clusters. there are two inequivalent Sb3+ sites. In the first Sb3+ site, Sb3+ is bonded in a 3-coordinate geometry to three S2- atoms. There are a spread of Sb–S bond distances ranging from 2.51–2.89 Å. In the second Sb3+ site, Sb3+ is bonded in an L-shaped geometry to two S2- atoms. There are one shorter (2.40 Å) and one longer (2.44 Å) Sb–S bond lengths. There are two inequivalent N1+ sites. In the first N1+ site, N1+ is bonded in a single-bond geometry to one S2- atom. The N–S bond length is 1.54 Å. In the second N1+ site, N1+ is bonded in a bent 120 degrees geometry to two S2- atoms. Both N–S bond lengths are 1.66 Å. There are four inequivalent S2- sites. In the first S2- site, S2- is bonded in a distorted single-bond geometry to one Sb3+ and one N1+ atom. In the second S2- site, S2- is bonded in a water-like geometry to two N1+ atoms. In the third S2- site, S2- is bonded in an L-shaped geometry to two Sb3+ atoms. Inmore »« less

Authors:: The Materials Project

Publication Date:: Fri Jan 11 00:00:00 EST 2019

Other Number(s):: mp-1179588

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; SbS2N; N-S-Sb

OSTI Identifier:: 1684352

DOI:: https://doi.org/10.17188/1684352

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                    The Materials Project. Materials Data on SbS2N by Materials Project.  United States: N. p., 2019. 
        Web.  doi:10.17188/1684352.

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                    The Materials Project. Materials Data on SbS2N by Materials Project.  United States.  doi:https://doi.org/10.17188/1684352

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                    The Materials Project. 2019.  
"Materials Data on SbS2N by Materials Project".  United States.  doi:https://doi.org/10.17188/1684352.  https://www.osti.gov/servlets/purl/1684352. Pub date:Fri Jan 11 00:00:00 EST 2019

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@article{osti_1684352,

  title        = {Materials Data on SbS2N by Materials Project},

  author       = {The Materials Project},

  abstractNote = {SbNS2 is alpha Np-like structured and crystallizes in the triclinic P-1 space group. The structure is zero-dimensional and consists of two SbNS2 clusters. there are two inequivalent Sb3+ sites. In the first Sb3+ site, Sb3+ is bonded in a 3-coordinate geometry to three S2- atoms. There are a spread of Sb–S bond distances ranging from 2.51–2.89 Å. In the second Sb3+ site, Sb3+ is bonded in an L-shaped geometry to two S2- atoms. There are one shorter (2.40 Å) and one longer (2.44 Å) Sb–S bond lengths. There are two inequivalent N1+ sites. In the first N1+ site, N1+ is bonded in a single-bond geometry to one S2- atom. The N–S bond length is 1.54 Å. In the second N1+ site, N1+ is bonded in a bent 120 degrees geometry to two S2- atoms. Both N–S bond lengths are 1.66 Å. There are four inequivalent S2- sites. In the first S2- site, S2- is bonded in a distorted single-bond geometry to one Sb3+ and one N1+ atom. In the second S2- site, S2- is bonded in a water-like geometry to two N1+ atoms. In the third S2- site, S2- is bonded in an L-shaped geometry to two Sb3+ atoms. In the fourth S2- site, S2- is bonded in an L-shaped geometry to two Sb3+ atoms.},

  doi          = {10.17188/1684352},

  journal      = {},

  number       = ,

  volume       = ,

  place        = {United States},

  year         = {Fri Jan 11 00:00:00 EST 2019},

  month        = {Fri Jan 11 00:00:00 EST 2019}

}

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DOI: https://doi.org/10.17188/1684352

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