Materials Data on TaInS2 by Materials Project

doi:10.17188/1197566

Title: Materials Data on TaInS2 by Materials Project

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Abstract

TaInS2 crystallizes in the hexagonal P-6m2 space group. The structure is three-dimensional. Ta3+ is bonded to six equivalent S2- atoms to form distorted edge-sharing TaS6 pentagonal pyramids. All Ta–S bond lengths are 2.48 Å. In1+ is bonded in a linear geometry to two equivalent S2- atoms. Both In–S bond lengths are 2.90 Å. S2- is bonded in a distorted rectangular see-saw-like geometry to three equivalent Ta3+ and one In1+ atom.

Authors:: The Materials Project

Publication Date:: 2020-07-16

Other Number(s):: mp-22332

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; TaInS2; In-S-Ta

OSTI Identifier:: 1197566

DOI:: https://doi.org/10.17188/1197566

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                    The Materials Project. Materials Data on TaInS2 by Materials Project.  United States: N. p., 2020. 
        Web.  doi:10.17188/1197566.

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                    The Materials Project. Materials Data on TaInS2 by Materials Project.  United States.  doi:https://doi.org/10.17188/1197566

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                    The Materials Project. 2020.  
"Materials Data on TaInS2 by Materials Project".  United States.  doi:https://doi.org/10.17188/1197566.  https://www.osti.gov/servlets/purl/1197566. Pub date:Thu Jul 16 00:00:00 EDT 2020

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@article{osti_1197566,

  title        = {Materials Data on TaInS2 by Materials Project},

  author       = {The Materials Project},

  abstractNote = {TaInS2 crystallizes in the hexagonal P-6m2 space group. The structure is three-dimensional. Ta3+ is bonded to six equivalent S2- atoms to form distorted edge-sharing TaS6 pentagonal pyramids. All Ta–S bond lengths are 2.48 Å. In1+ is bonded in a linear geometry to two equivalent S2- atoms. Both In–S bond lengths are 2.90 Å. S2- is bonded in a distorted rectangular see-saw-like geometry to three equivalent Ta3+ and one In1+ atom.},

  doi          = {10.17188/1197566},

  journal      = {},

  number       = ,

  volume       = ,

  place        = {United States},

  year         = {2020},

  month        = {7}

}

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DOI: https://doi.org/10.17188/1197566

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