Materials Data on CSCl2 by Materials Project

doi:10.17188/1268056

Title: Materials Data on CSCl2 by Materials Project

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Abstract

CSCl2 is Hg_xSn-like structured and crystallizes in the monoclinic P2_1/c space group. The structure is zero-dimensional and consists of two 2,2,4,4-tetrachloro-1,3-dithietane molecules. C4+ is bonded to two equivalent S2- and two Cl1- atoms to form distorted edge-sharing CS2Cl2 tetrahedra. Both C–S bond lengths are 1.82 Å. Both C–Cl bond lengths are 1.79 Å. S2- is bonded in an L-shaped geometry to two equivalent C4+ atoms. There are two inequivalent Cl1- sites. In the first Cl1- site, Cl1- is bonded in a single-bond geometry to one C4+ atom. In the second Cl1- site, Cl1- is bonded in a single-bond geometry to one C4+ atom.

Publication Date:: 2020-07-14

Other Number(s):: mp-554711

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; C-Cl-S; CSCl2; crystal structure

OSTI Identifier:: 1268056

DOI:: https://doi.org/10.17188/1268056

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                    Materials Data on CSCl2 by Materials Project.  United States: N. p., 2020. 
        Web.  doi:10.17188/1268056.

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                    Materials Data on CSCl2 by Materials Project.  United States.  doi:https://doi.org/10.17188/1268056

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                    2020.  
"Materials Data on CSCl2 by Materials Project".  United States.  doi:https://doi.org/10.17188/1268056.  https://www.osti.gov/servlets/purl/1268056. Pub date:Tue Jul 14 04:00:00 UTC 2020

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@article{osti_1268056,

  title        = {Materials Data on CSCl2 by Materials Project},

  
  abstractNote = {CSCl2 is Hg_xSn-like structured and crystallizes in the monoclinic P2_1/c space group. The structure is zero-dimensional and consists of two 2,2,4,4-tetrachloro-1,3-dithietane molecules. C4+ is bonded to two equivalent S2- and two Cl1- atoms to form distorted edge-sharing CS2Cl2 tetrahedra. Both C–S bond lengths are 1.82 Å. Both C–Cl bond lengths are 1.79 Å. S2- is bonded in an L-shaped geometry to two equivalent C4+ atoms. There are two inequivalent Cl1- sites. In the first Cl1- site, Cl1- is bonded in a single-bond geometry to one C4+ atom. In the second Cl1- site, Cl1- is bonded in a single-bond geometry to one C4+ atom.},

  doi          = {10.17188/1268056},

  journal      = {},

  number       = ,

  volume       = ,

  place        = {United States},

  year         = {2020},

  month        = {7}

}

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DOI: https://doi.org/10.17188/1268056

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