Materials Data on TaS2 by Materials Project

doi:10.17188/1191682

Title: Materials Data on TaS2 by Materials Project

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Abstract

TaS2 is trigonal omega-like structured and crystallizes in the trigonal R3m space group. The structure is two-dimensional and consists of six TaS2 sheets oriented in the (0, 0, 1) direction. Ta4+ is bonded to six equivalent S2- atoms to form edge-sharing TaS6 octahedra. All Ta–S bond lengths are 2.48 Å. S2- is bonded in a distorted T-shaped geometry to three equivalent Ta4+ atoms.

Publication Date:: 2020-07-16

Other Number(s):: mp-16226

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; S-Ta; TaS2; crystal structure

OSTI Identifier:: 1191682

DOI:: https://doi.org/10.17188/1191682

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                    Materials Data on TaS2 by Materials Project.  United States: N. p., 2020. 
        Web.  doi:10.17188/1191682.

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                    Materials Data on TaS2 by Materials Project.  United States.  doi:https://doi.org/10.17188/1191682

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                    2020.  
"Materials Data on TaS2 by Materials Project".  United States.  doi:https://doi.org/10.17188/1191682.  https://www.osti.gov/servlets/purl/1191682. Pub date:Thu Jul 16 04:00:00 UTC 2020

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@article{osti_1191682,

  title        = {Materials Data on TaS2 by Materials Project},

  
  abstractNote = {TaS2 is trigonal omega-like structured and crystallizes in the trigonal R3m space group. The structure is two-dimensional and consists of six TaS2 sheets oriented in the (0, 0, 1) direction. Ta4+ is bonded to six equivalent S2- atoms to form edge-sharing TaS6 octahedra. All Ta–S bond lengths are 2.48 Å. S2- is bonded in a distorted T-shaped geometry to three equivalent Ta4+ atoms.},

  doi          = {10.17188/1191682},

  journal      = {},

  number       = ,

  volume       = ,

  place        = {United States},

  year         = {2020},

  month        = {7}

}

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DOI: https://doi.org/10.17188/1191682

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Materials Data on TaS2 by Materials Project

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TaS2 is trigonal omega-like structured and crystallizes in the trigonal R-3m space group. The structure is two-dimensional and consists of six TaS2 sheets oriented in the (0, 0, 1) direction. Ta4+ is bonded to six equivalent S2- atoms to form edge-sharing TaS6 octahedra. All Ta–S bond lengths are 2.48 Å. S2- is bonded in a distorted T-shaped geometry to three equivalent Ta4+ atoms.
Materials Data on TaS2 by Materials Project

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TaS2 is Molybdenite-like structured and crystallizes in the trigonal R3m space group. The structure is two-dimensional and consists of three TaS2 sheets oriented in the (0, 0, 1) direction. Ta4+ is bonded to six equivalent S2- atoms to form distorted edge-sharing TaS6 pentagonal pyramids. All Ta–S bond lengths are 2.48 Å. S2- is bonded in a 3-coordinate geometry to three equivalent Ta4+ atoms.
Materials Data on TaS2 by Materials Project

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TaS2 is Molybdenite-like structured and crystallizes in the orthorhombic Fmm2 space group. The structure is two-dimensional and consists of two TaS2 sheets oriented in the (0, 0, 1) direction. Ta4+ is bonded to six equivalent S2- atoms to form distorted edge-sharing TaS6 pentagonal pyramids. All Ta–S bond lengths are 2.48 Å. S2- is bonded in a distorted T-shaped geometry to three equivalent Ta4+ atoms.
Materials Data on TaS2 by Materials Project

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TaS2 is Molybdenite-like structured and crystallizes in the hexagonal P6_3/mmc space group. The structure is two-dimensional and consists of two TaS2 sheets oriented in the (0, 0, 1) direction. Ta4+ is bonded to six equivalent S2- atoms to form distorted edge-sharing TaS6 pentagonal pyramids. All Ta–S bond lengths are 2.48 Å. S2- is bonded in a 3-coordinate geometry to three equivalent Ta4+ atoms.
Materials Data on TaS2 by Materials Project

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TaS2 is trigonal omega structured and crystallizes in the trigonal P-3m1 space group. The structure is two-dimensional and consists of one TaS2 sheet oriented in the (0, 0, 1) direction. Ta4+ is bonded to six equivalent S2- atoms to form edge-sharing TaS6 octahedra. All Ta–S bond lengths are 2.48 Å. S2- is bonded in a distorted T-shaped geometry to three equivalent Ta4+ atoms.

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