Materials Data on Ta3(InS3)2 by Materials Project

doi:10.17188/1710877

Title: Materials Data on Ta3(InS3)2 by Materials Project

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Abstract

Ta3(InS3)2 crystallizes in the trigonal R32 space group. The structure is three-dimensional. there are two inequivalent Ta+3.33+ sites. In the first Ta+3.33+ site, Ta+3.33+ is bonded to six equivalent S2- atoms to form distorted edge-sharing TaS6 pentagonal pyramids. All Ta–S bond lengths are 2.49 Å. In the second Ta+3.33+ site, Ta+3.33+ is bonded to six equivalent S2- atoms to form distorted edge-sharing TaS6 pentagonal pyramids. All Ta–S bond lengths are 2.49 Å. In1+ is bonded in a 6-coordinate geometry to six equivalent S2- atoms. All In–S bond lengths are 3.15 Å. S2- is bonded in a 5-coordinate geometry to three Ta+3.33+ and two equivalent In1+ atoms.

Publication Date:: Sat May 02 04:00:00 UTC 2020

Other Number(s):: mp-1218117

DOE Contract Number:: AC02-05CH11231

Research Org.:: LBNL Materials Project; Lawrence Berkeley National Laboratory (LBNL), Berkeley, CA (United States)

Sponsoring Org.:: USDOE Office of Science (SC), Basic Energy Sciences (BES) (SC-22)

Collaborations:: The Materials Project; MIT; UC Berkeley; Duke; U Louvain

Subject:: 36 MATERIALS SCIENCE; In-S-Ta; Ta3(InS3)2; crystal structure

OSTI Identifier:: 1710877

DOI:: https://doi.org/10.17188/1710877

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                    Materials Data on Ta3(InS3)2 by Materials Project.  United States: N. p., 2020. 
        Web.  doi:10.17188/1710877.

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                    Materials Data on Ta3(InS3)2 by Materials Project.  United States.  doi:https://doi.org/10.17188/1710877

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                    2020.  
"Materials Data on Ta3(InS3)2 by Materials Project".  United States.  doi:https://doi.org/10.17188/1710877.  https://www.osti.gov/servlets/purl/1710877. Pub date:Sat May 02 04:00:00 UTC 2020

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@article{osti_1710877,

  title        = {Materials Data on Ta3(InS3)2 by Materials Project},

  
  abstractNote = {Ta3(InS3)2 crystallizes in the trigonal R32 space group. The structure is three-dimensional. there are two inequivalent Ta+3.33+ sites. In the first Ta+3.33+ site, Ta+3.33+ is bonded to six equivalent S2- atoms to form distorted edge-sharing TaS6 pentagonal pyramids. All Ta–S bond lengths are 2.49 Å. In the second Ta+3.33+ site, Ta+3.33+ is bonded to six equivalent S2- atoms to form distorted edge-sharing TaS6 pentagonal pyramids. All Ta–S bond lengths are 2.49 Å. In1+ is bonded in a 6-coordinate geometry to six equivalent S2- atoms. All In–S bond lengths are 3.15 Å. S2- is bonded in a 5-coordinate geometry to three Ta+3.33+ and two equivalent In1+ atoms.},

  doi          = {10.17188/1710877},

  journal      = {},

  number       = ,

  volume       = ,

  place        = {United States},

  year         = {Sat May 02 04:00:00 UTC 2020},

  month        = {Sat May 02 04:00:00 UTC 2020}

}

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DOI: https://doi.org/10.17188/1710877

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