Materials Data on TlS by Materials Project

doi:10.17188/1317420

Title: Materials Data on TlS by Materials Project

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Abstract

TlS is Molybdenum Carbide MAX Phase-like structured and crystallizes in the trigonal R-3m space group. The structure is three-dimensional. there are two inequivalent Tl1+ sites. In the first Tl1+ site, Tl1+ is bonded to six equivalent S1- atoms to form a mixture of corner and edge-sharing TlS6 octahedra. The corner-sharing octahedral tilt angles are 10°. All Tl–S bond lengths are 2.78 Å. In the second Tl1+ site, Tl1+ is bonded to six equivalent S1- atoms to form a mixture of corner and edge-sharing TlS6 octahedra. The corner-sharing octahedral tilt angles are 10°. All Tl–S bond lengths are 3.17 Å. S1- is bonded to six Tl1+ atoms to form a mixture of corner and edge-sharing STl6 octahedra. The corner-sharing octahedral tilt angles are 0°.

Authors:: The Materials Project

Publication Date:: 2020-07-16

Other Number(s):: mp-998912

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; TlS; S-Tl

OSTI Identifier:: 1317420

DOI:: https://doi.org/10.17188/1317420

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                    The Materials Project. Materials Data on TlS by Materials Project.  United States: N. p., 2020. 
        Web.  doi:10.17188/1317420.

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                    The Materials Project. Materials Data on TlS by Materials Project.  United States.  doi:https://doi.org/10.17188/1317420

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                    The Materials Project. 2020.  
"Materials Data on TlS by Materials Project".  United States.  doi:https://doi.org/10.17188/1317420.  https://www.osti.gov/servlets/purl/1317420. Pub date:Thu Jul 16 00:00:00 EDT 2020

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@article{osti_1317420,

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

  author       = {The Materials Project},

  abstractNote = {TlS is Molybdenum Carbide MAX Phase-like structured and crystallizes in the trigonal R-3m space group. The structure is three-dimensional. there are two inequivalent Tl1+ sites. In the first Tl1+ site, Tl1+ is bonded to six equivalent S1- atoms to form a mixture of corner and edge-sharing TlS6 octahedra. The corner-sharing octahedral tilt angles are 10°. All Tl–S bond lengths are 2.78 Å. In the second Tl1+ site, Tl1+ is bonded to six equivalent S1- atoms to form a mixture of corner and edge-sharing TlS6 octahedra. The corner-sharing octahedral tilt angles are 10°. All Tl–S bond lengths are 3.17 Å. S1- is bonded to six Tl1+ atoms to form a mixture of corner and edge-sharing STl6 octahedra. The corner-sharing octahedral tilt angles are 0°.},

  doi          = {10.17188/1317420},

  journal      = {},

  number       = ,

  volume       = ,

  place        = {United States},

  year         = {2020},

  month        = {7}

}

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DOI: https://doi.org/10.17188/1317420

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