Materials Data on BaTe3 by Materials Project

doi:10.17188/1307982

Title: Materials Data on BaTe3 by Materials Project

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Abstract

BaTe3 is Barium trisulfide structured and crystallizes in the tetragonal P-42_1m space group. The structure is three-dimensional. Ba is bonded in a distorted body-centered cubic geometry to twelve Te atoms. There are a spread of Ba–Te bond distances ranging from 3.65–4.07 Å. There are two inequivalent Te sites. In the first Te site, Te is bonded in a 5-coordinate geometry to four equivalent Ba and two equivalent Te atoms. There are one shorter (2.85 Å) and one longer (3.50 Å) Te–Te bond lengths. In the second Te site, Te is bonded in a 2-coordinate geometry to four equivalent Ba and four equivalent Te atoms.

Authors:: The Materials Project

Publication Date:: 2020-07-17

Other Number(s):: mp-8234

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; BaTe3; Ba-Te

OSTI Identifier:: 1307982

DOI:: https://doi.org/10.17188/1307982

Citation Formats


                    The Materials Project. Materials Data on BaTe3 by Materials Project.  United States: N. p., 2020. 
        Web.  doi:10.17188/1307982.

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                    The Materials Project. Materials Data on BaTe3 by Materials Project.  United States.  doi:https://doi.org/10.17188/1307982

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                    The Materials Project. 2020.  
"Materials Data on BaTe3 by Materials Project".  United States.  doi:https://doi.org/10.17188/1307982.  https://www.osti.gov/servlets/purl/1307982. Pub date:Fri Jul 17 00:00:00 EDT 2020

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@article{osti_1307982,

  title        = {Materials Data on BaTe3 by Materials Project},

  author       = {The Materials Project},

  abstractNote = {BaTe3 is Barium trisulfide structured and crystallizes in the tetragonal P-42_1m space group. The structure is three-dimensional. Ba is bonded in a distorted body-centered cubic geometry to twelve Te atoms. There are a spread of Ba–Te bond distances ranging from 3.65–4.07 Å. There are two inequivalent Te sites. In the first Te site, Te is bonded in a 5-coordinate geometry to four equivalent Ba and two equivalent Te atoms. There are one shorter (2.85 Å) and one longer (3.50 Å) Te–Te bond lengths. In the second Te site, Te is bonded in a 2-coordinate geometry to four equivalent Ba and four equivalent Te atoms.},

  doi          = {10.17188/1307982},

  journal      = {},

  number       = ,

  volume       = ,

  place        = {United States},

  year         = {2020},

  month        = {7}

}

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DOI: https://doi.org/10.17188/1307982

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