Materials Data on TeC2S2(N2Cl)2 by Materials Project

doi:10.17188/1672810

Title: Materials Data on TeC2S2(N2Cl)2 by Materials Project

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Abstract

C2TeS2(N2Cl)2 crystallizes in the monoclinic C2/c space group. The structure is zero-dimensional and consists of four 207737-98-2 molecules. C4+ is bonded in a 3-coordinate geometry to two N+1.50- and one S2- atom. There is one shorter (1.30 Å) and one longer (1.32 Å) C–N bond length. The C–S bond length is 1.86 Å. There are two inequivalent N+1.50- sites. In the first N+1.50- site, N+1.50- is bonded in a single-bond geometry to one C4+ atom. In the second N+1.50- site, N+1.50- is bonded in a single-bond geometry to one C4+ atom. Te4+ is bonded in a 4-coordinate geometry to two equivalent S2- and two equivalent Cl1- atoms. Both Te–S bond lengths are 2.67 Å. Both Te–Cl bond lengths are 2.47 Å. S2- is bonded in a distorted water-like geometry to one C4+ and one Te4+ atom. Cl1- is bonded in a distorted single-bond geometry to one Te4+ atom.

Authors:: The Materials Project

Publication Date:: Sun May 03 00:00:00 EDT 2020

Other Number(s):: mp-1191376

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; TeC2S2(N2Cl)2; C-Cl-N-S-Te

OSTI Identifier:: 1672810

DOI:: https://doi.org/10.17188/1672810

Citation Formats


                    The Materials Project. Materials Data on TeC2S2(N2Cl)2 by Materials Project.  United States: N. p., 2020. 
        Web.  doi:10.17188/1672810.

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                    The Materials Project. Materials Data on TeC2S2(N2Cl)2 by Materials Project.  United States.  doi:https://doi.org/10.17188/1672810

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                    The Materials Project. 2020.  
"Materials Data on TeC2S2(N2Cl)2 by Materials Project".  United States.  doi:https://doi.org/10.17188/1672810.  https://www.osti.gov/servlets/purl/1672810. Pub date:Sun May 03 00:00:00 EDT 2020

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@article{osti_1672810,

  title        = {Materials Data on TeC2S2(N2Cl)2 by Materials Project},

  author       = {The Materials Project},

  abstractNote = {C2TeS2(N2Cl)2 crystallizes in the monoclinic C2/c space group. The structure is zero-dimensional and consists of four 207737-98-2 molecules. C4+ is bonded in a 3-coordinate geometry to two N+1.50- and one S2- atom. There is one shorter (1.30 Å) and one longer (1.32 Å) C–N bond length. The C–S bond length is 1.86 Å. There are two inequivalent N+1.50- sites. In the first N+1.50- site, N+1.50- is bonded in a single-bond geometry to one C4+ atom. In the second N+1.50- site, N+1.50- is bonded in a single-bond geometry to one C4+ atom. Te4+ is bonded in a 4-coordinate geometry to two equivalent S2- and two equivalent Cl1- atoms. Both Te–S bond lengths are 2.67 Å. Both Te–Cl bond lengths are 2.47 Å. S2- is bonded in a distorted water-like geometry to one C4+ and one Te4+ atom. Cl1- is bonded in a distorted single-bond geometry to one Te4+ atom.},

  doi          = {10.17188/1672810},

  journal      = {},

  number       = ,

  volume       = ,

  place        = {United States},

  year         = {Sun May 03 00:00:00 EDT 2020},

  month        = {Sun May 03 00:00:00 EDT 2020}

}

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DOI: https://doi.org/10.17188/1672810

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