Materials Data on Tl3S by Materials Project

doi:10.17188/1751271

Title: Materials Data on Tl3S by Materials Project

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Abstract

(Tl)3S crystallizes in the tetragonal I4/mmm space group. The structure is three-dimensional and consists of two hydrogen sulfide molecules and one Tl framework. In the Tl framework, there are two inequivalent Tl sites. In the first Tl site, Tl is bonded in a 8-coordinate geometry to eight Tl atoms. There are four shorter (3.32 Å) and four longer (3.48 Å) Tl–Tl bond lengths. In the second Tl site, Tl is bonded in a 12-coordinate geometry to eight equivalent Tl atoms.

Authors:: The Materials Project

Publication Date:: 2020-05-03

Other Number(s):: mp-1187544

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; Tl3S; S-Tl

OSTI Identifier:: 1751271

DOI:: https://doi.org/10.17188/1751271

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                    The Materials Project. Materials Data on Tl3S by Materials Project.  United States: N. p., 2020. 
        Web.  doi:10.17188/1751271.

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                    The Materials Project. Materials Data on Tl3S by Materials Project.  United States.  doi:https://doi.org/10.17188/1751271

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                    The Materials Project. 2020.  
"Materials Data on Tl3S by Materials Project".  United States.  doi:https://doi.org/10.17188/1751271.  https://www.osti.gov/servlets/purl/1751271. Pub date:Sun May 03 00:00:00 EDT 2020

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@article{osti_1751271,

  title        = {Materials Data on Tl3S by Materials Project},

  author       = {The Materials Project},

  abstractNote = {(Tl)3S crystallizes in the tetragonal I4/mmm space group. The structure is three-dimensional and consists of two hydrogen sulfide molecules and one Tl framework. In the Tl framework, there are two inequivalent Tl sites. In the first Tl site, Tl is bonded in a 8-coordinate geometry to eight Tl atoms. There are four shorter (3.32 Å) and four longer (3.48 Å) Tl–Tl bond lengths. In the second Tl site, Tl is bonded in a 12-coordinate geometry to eight equivalent Tl atoms.},

  doi          = {10.17188/1751271},

  journal      = {},

  number       = ,

  volume       = ,

  place        = {United States},

  year         = {2020},

  month        = {5}

}

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DOI: https://doi.org/10.17188/1751271

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