Materials Data on Ta3(BiS3)2 by Materials Project

doi:10.17188/1267881

Title: Materials Data on Ta3(BiS3)2 by Materials Project

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Abstract

Ta3(BiS3)2 crystallizes in the hexagonal P6_3/mcm space group. The structure is three-dimensional. Ta+3.33+ is bonded to six S2- atoms to form distorted edge-sharing TaS6 pentagonal pyramids. There are two shorter (2.47 Å) and four longer (2.48 Å) Ta–S bond lengths. Bi1+ is bonded in a linear geometry to two equivalent S2- atoms. Both Bi–S bond lengths are 2.86 Å. There are two inequivalent S2- sites. In the first S2- site, S2- is bonded in a 3-coordinate geometry to three equivalent Ta+3.33+ atoms. In the second S2- site, S2- is bonded in a distorted rectangular see-saw-like geometry to three equivalent Ta+3.33+ and one Bi1+ atom.

Publication Date:: Tue Jul 14 04:00:00 UTC 2020

Other Number(s):: mp-554389

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; Bi-S-Ta; Ta3(BiS3)2; crystal structure

OSTI Identifier:: 1267881

DOI:: https://doi.org/10.17188/1267881

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                    Materials Data on Ta3(BiS3)2 by Materials Project.  United States: N. p., 2020. 
        Web.  doi:10.17188/1267881.

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                    Materials Data on Ta3(BiS3)2 by Materials Project.  United States.  doi:https://doi.org/10.17188/1267881

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                    2020.  
"Materials Data on Ta3(BiS3)2 by Materials Project".  United States.  doi:https://doi.org/10.17188/1267881.  https://www.osti.gov/servlets/purl/1267881. Pub date:Tue Jul 14 04:00:00 UTC 2020

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@article{osti_1267881,

  title        = {Materials Data on Ta3(BiS3)2 by Materials Project},

  
  abstractNote = {Ta3(BiS3)2 crystallizes in the hexagonal P6_3/mcm space group. The structure is three-dimensional. Ta+3.33+ is bonded to six S2- atoms to form distorted edge-sharing TaS6 pentagonal pyramids. There are two shorter (2.47 Å) and four longer (2.48 Å) Ta–S bond lengths. Bi1+ is bonded in a linear geometry to two equivalent S2- atoms. Both Bi–S bond lengths are 2.86 Å. There are two inequivalent S2- sites. In the first S2- site, S2- is bonded in a 3-coordinate geometry to three equivalent Ta+3.33+ atoms. In the second S2- site, S2- is bonded in a distorted rectangular see-saw-like geometry to three equivalent Ta+3.33+ and one Bi1+ atom.},

  doi          = {10.17188/1267881},

  journal      = {},

  number       = ,

  volume       = ,

  place        = {United States},

  year         = {Tue Jul 14 04:00:00 UTC 2020},

  month        = {Tue Jul 14 04:00:00 UTC 2020}

}

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DOI: https://doi.org/10.17188/1267881

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