Materials Data on TaS3 by Materials Project

doi:10.17188/1695879

Title: Materials Data on TaS3 by Materials Project

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Abstract

TaS3 crystallizes in the orthorhombic Aea2 space group. The structure is three-dimensional. Ta5+ is bonded in a 9-coordinate geometry to nine S+1.67- atoms. There are a spread of Ta–S bond distances ranging from 2.49–2.79 Å. There are two inequivalent S+1.67- sites. In the first S+1.67- site, S+1.67- is bonded in a 3-coordinate geometry to three equivalent Ta5+ atoms. In the second S+1.67- site, S+1.67- is bonded in a 3-coordinate geometry to three equivalent Ta5+ atoms.

Authors:: The Materials Project

Publication Date:: 2020-05-02

Other Number(s):: mp-1094038

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; TaS3; S-Ta

OSTI Identifier:: 1695879

DOI:: https://doi.org/10.17188/1695879

Citation Formats


                    The Materials Project. Materials Data on TaS3 by Materials Project.  United States: N. p., 2020. 
        Web.  doi:10.17188/1695879.

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                    The Materials Project. Materials Data on TaS3 by Materials Project.  United States.  doi:https://doi.org/10.17188/1695879

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                    The Materials Project. 2020.  
"Materials Data on TaS3 by Materials Project".  United States.  doi:https://doi.org/10.17188/1695879.  https://www.osti.gov/servlets/purl/1695879. Pub date:Sat May 02 00:00:00 EDT 2020

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@article{osti_1695879,

  title        = {Materials Data on TaS3 by Materials Project},

  author       = {The Materials Project},

  abstractNote = {TaS3 crystallizes in the orthorhombic Aea2 space group. The structure is three-dimensional. Ta5+ is bonded in a 9-coordinate geometry to nine S+1.67- atoms. There are a spread of Ta–S bond distances ranging from 2.49–2.79 Å. There are two inequivalent S+1.67- sites. In the first S+1.67- site, S+1.67- is bonded in a 3-coordinate geometry to three equivalent Ta5+ atoms. In the second S+1.67- site, S+1.67- is bonded in a 3-coordinate geometry to three equivalent Ta5+ atoms.},

  doi          = {10.17188/1695879},

  journal      = {},

  number       = ,

  volume       = ,

  place        = {United States},

  year         = {2020},

  month        = {5}

}

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DOI: https://doi.org/10.17188/1695879

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