Materials Data on ErTa3 by Materials Project

doi:10.17188/1316601

Title: Materials Data on ErTa3 by Materials Project

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Abstract

ErTa3 is alpha bismuth trifluoride structured and crystallizes in the cubic Fm-3m space group. The structure is three-dimensional. Er is bonded in a distorted body-centered cubic geometry to fourteen Ta atoms. There are eight shorter (2.97 Å) and six longer (3.43 Å) Er–Ta bond lengths. There are two inequivalent Ta sites. In the first Ta site, Ta is bonded in a distorted body-centered cubic geometry to four equivalent Er and four equivalent Ta atoms. All Ta–Ta bond lengths are 2.97 Å. In the second Ta site, Ta is bonded in a 8-coordinate geometry to six equivalent Er and eight equivalent Ta atoms.

Authors:: The Materials Project

Publication Date:: 2020-07-20

Other Number(s):: mp-984707

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; ErTa3; Er-Ta

OSTI Identifier:: 1316601

DOI:: https://doi.org/10.17188/1316601

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                    The Materials Project. Materials Data on ErTa3 by Materials Project.  United States: N. p., 2020. 
        Web.  doi:10.17188/1316601.

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                    The Materials Project. Materials Data on ErTa3 by Materials Project.  United States.  doi:https://doi.org/10.17188/1316601

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                    The Materials Project. 2020.  
"Materials Data on ErTa3 by Materials Project".  United States.  doi:https://doi.org/10.17188/1316601.  https://www.osti.gov/servlets/purl/1316601. Pub date:Mon Jul 20 00:00:00 EDT 2020

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@article{osti_1316601,

  title        = {Materials Data on ErTa3 by Materials Project},

  author       = {The Materials Project},

  abstractNote = {ErTa3 is alpha bismuth trifluoride structured and crystallizes in the cubic Fm-3m space group. The structure is three-dimensional. Er is bonded in a distorted body-centered cubic geometry to fourteen Ta atoms. There are eight shorter (2.97 Å) and six longer (3.43 Å) Er–Ta bond lengths. There are two inequivalent Ta sites. In the first Ta site, Ta is bonded in a distorted body-centered cubic geometry to four equivalent Er and four equivalent Ta atoms. All Ta–Ta bond lengths are 2.97 Å. In the second Ta site, Ta is bonded in a 8-coordinate geometry to six equivalent Er and eight equivalent Ta atoms.},

  doi          = {10.17188/1316601},

  journal      = {},

  number       = ,

  volume       = ,

  place        = {United States},

  year         = {2020},

  month        = {7}

}

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DOI: https://doi.org/10.17188/1316601

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