Materials Data on Tl2CS3 by Materials Project

doi:10.17188/1269757

Title: Materials Data on Tl2CS3 by Materials Project

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Abstract

Tl2CS3 crystallizes in the monoclinic C2/c space group. The structure is three-dimensional. Tl1+ is bonded in a 7-coordinate geometry to seven S2- atoms. There are a spread of Tl–S bond distances ranging from 3.12–3.63 Å. C4+ is bonded in a trigonal planar geometry to three S2- atoms. All C–S bond lengths are 1.72 Å. There are two inequivalent S2- sites. In the first S2- site, S2- is bonded in a 1-coordinate geometry to four equivalent Tl1+ and one C4+ atom. In the second S2- site, S2- is bonded in a 1-coordinate geometry to six equivalent Tl1+ and one C4+ atom.

Authors:: The Materials Project

Publication Date:: 2020-07-15

Other Number(s):: mp-557251

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; Tl2CS3; C-S-Tl

OSTI Identifier:: 1269757

DOI:: https://doi.org/10.17188/1269757

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                    The Materials Project. Materials Data on Tl2CS3 by Materials Project.  United States: N. p., 2020. 
        Web.  doi:10.17188/1269757.

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                    The Materials Project. Materials Data on Tl2CS3 by Materials Project.  United States.  doi:https://doi.org/10.17188/1269757

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                    The Materials Project. 2020.  
"Materials Data on Tl2CS3 by Materials Project".  United States.  doi:https://doi.org/10.17188/1269757.  https://www.osti.gov/servlets/purl/1269757. Pub date:Wed Jul 15 00:00:00 EDT 2020

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@article{osti_1269757,

  title        = {Materials Data on Tl2CS3 by Materials Project},

  author       = {The Materials Project},

  abstractNote = {Tl2CS3 crystallizes in the monoclinic C2/c space group. The structure is three-dimensional. Tl1+ is bonded in a 7-coordinate geometry to seven S2- atoms. There are a spread of Tl–S bond distances ranging from 3.12–3.63 Å. C4+ is bonded in a trigonal planar geometry to three S2- atoms. All C–S bond lengths are 1.72 Å. There are two inequivalent S2- sites. In the first S2- site, S2- is bonded in a 1-coordinate geometry to four equivalent Tl1+ and one C4+ atom. In the second S2- site, S2- is bonded in a 1-coordinate geometry to six equivalent Tl1+ and one C4+ atom.},

  doi          = {10.17188/1269757},

  journal      = {},

  number       = ,

  volume       = ,

  place        = {United States},

  year         = {2020},

  month        = {7}

}

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DOI: https://doi.org/10.17188/1269757

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