Materials Data on SbSNCl5 by Materials Project

doi:10.17188/1271020

Title: Materials Data on SbSNCl5 by Materials Project

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Abstract

NSSbCl5 crystallizes in the tetragonal I-42d space group. The structure is zero-dimensional and consists of eight 1,3,2,4-dithiadiazetidine molecules and sixteen SbCl5 clusters. In each SbCl5 cluster, Sb3+ is bonded in a trigonal bipyramidal geometry to five Cl1- atoms. There are a spread of Sb–Cl bond distances ranging from 2.36–2.39 Å. There are three inequivalent Cl1- sites. In the first Cl1- site, Cl1- is bonded in a single-bond geometry to one Sb3+ atom. In the second Cl1- site, Cl1- is bonded in a single-bond geometry to one Sb3+ atom. In the third Cl1- site, Cl1- is bonded in a single-bond geometry to one Sb3+ atom.

Publication Date:: 2020-04-29

Other Number(s):: mp-559738

DOE Contract Number:: AC02-05CH11231

Research Org.:: LBNL Materials Project; Lawrence Berkeley National Laboratory (LBNL), Berkeley, CA (United States)

Sponsoring Org.:: USDOE Office of Science (SC), Basic Energy Sciences (BES) (SC-22)

Collaborations:: The Materials Project; MIT; UC Berkeley; Duke; U Louvain

Subject:: 36 MATERIALS SCIENCE; Cl-N-S-Sb; SbSNCl5; crystal structure

OSTI Identifier:: 1271020

DOI:: https://doi.org/10.17188/1271020

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                    Materials Data on SbSNCl5 by Materials Project.  United States: N. p., 2020. 
        Web.  doi:10.17188/1271020.

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                    Materials Data on SbSNCl5 by Materials Project.  United States.  doi:https://doi.org/10.17188/1271020

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                    2020.  
"Materials Data on SbSNCl5 by Materials Project".  United States.  doi:https://doi.org/10.17188/1271020.  https://www.osti.gov/servlets/purl/1271020. Pub date:Wed Apr 29 00:00:00 EDT 2020

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@article{osti_1271020,

  title        = {Materials Data on SbSNCl5 by Materials Project},

  
  abstractNote = {NSSbCl5 crystallizes in the tetragonal I-42d space group. The structure is zero-dimensional and consists of eight 1,3,2,4-dithiadiazetidine molecules and sixteen SbCl5 clusters. In each SbCl5 cluster, Sb3+ is bonded in a trigonal bipyramidal geometry to five Cl1- atoms. There are a spread of Sb–Cl bond distances ranging from 2.36–2.39 Å. There are three inequivalent Cl1- sites. In the first Cl1- site, Cl1- is bonded in a single-bond geometry to one Sb3+ atom. In the second Cl1- site, Cl1- is bonded in a single-bond geometry to one Sb3+ atom. In the third Cl1- site, Cl1- is bonded in a single-bond geometry to one Sb3+ atom.},

  doi          = {10.17188/1271020},

  journal      = {},

  number       = ,

  volume       = ,

  place        = {United States},

  year         = {2020},

  month        = {4}

}

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DOI: https://doi.org/10.17188/1271020

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