Materials Data on ScTlS2 by Materials Project

doi:10.17188/1189515

Title: Materials Data on ScTlS2 by Materials Project

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Abstract

ScTlS2 is H-Phase structured and crystallizes in the hexagonal P6_3/mmc space group. The structure is three-dimensional. Sc3+ is bonded to six equivalent S2- atoms to form edge-sharing ScS6 octahedra. All Sc–S bond lengths are 2.61 Å. Tl1+ is bonded in a 6-coordinate geometry to six equivalent S2- atoms. All Tl–S bond lengths are 3.21 Å. S2- is bonded to three equivalent Sc3+ and three equivalent Tl1+ atoms to form a mixture of distorted corner, edge, and face-sharing SSc3Tl3 octahedra. The corner-sharing octahedra tilt angles range from 0–40°.

Authors:: The Materials Project

Publication Date:: Sat May 02 00:00:00 EDT 2020

Other Number(s):: mp-13312

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; ScTlS2; S-Sc-Tl

OSTI Identifier:: 1189515

DOI:: https://doi.org/10.17188/1189515

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                    The Materials Project. Materials Data on ScTlS2 by Materials Project.  United States: N. p., 2020. 
        Web.  doi:10.17188/1189515.

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                    The Materials Project. Materials Data on ScTlS2 by Materials Project.  United States.  doi:https://doi.org/10.17188/1189515

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                    The Materials Project. 2020.  
"Materials Data on ScTlS2 by Materials Project".  United States.  doi:https://doi.org/10.17188/1189515.  https://www.osti.gov/servlets/purl/1189515. Pub date:Sat May 02 00:00:00 EDT 2020

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@article{osti_1189515,

  title        = {Materials Data on ScTlS2 by Materials Project},

  author       = {The Materials Project},

  abstractNote = {ScTlS2 is H-Phase structured and crystallizes in the hexagonal P6_3/mmc space group. The structure is three-dimensional. Sc3+ is bonded to six equivalent S2- atoms to form edge-sharing ScS6 octahedra. All Sc–S bond lengths are 2.61 Å. Tl1+ is bonded in a 6-coordinate geometry to six equivalent S2- atoms. All Tl–S bond lengths are 3.21 Å. S2- is bonded to three equivalent Sc3+ and three equivalent Tl1+ atoms to form a mixture of distorted corner, edge, and face-sharing SSc3Tl3 octahedra. The corner-sharing octahedra tilt angles range from 0–40°.},

  doi          = {10.17188/1189515},

  journal      = {},

  number       = ,

  volume       = ,

  place        = {United States},

  year         = {Sat May 02 00:00:00 EDT 2020},

  month        = {Sat May 02 00:00:00 EDT 2020}

}

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DOI: https://doi.org/10.17188/1189515

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