Materials Data on Mg3Pa by Materials Project

doi:10.17188/1315903

Title: Materials Data on Mg3Pa by Materials Project

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Abstract

Mg3Pa is alpha bismuth trifluoride structured and crystallizes in the cubic Fm-3m space group. The structure is three-dimensional. there are two inequivalent Mg sites. In the first Mg site, Mg is bonded in a body-centered cubic geometry to four equivalent Mg and four equivalent Pa atoms. All Mg–Mg bond lengths are 3.15 Å. All Mg–Pa bond lengths are 3.15 Å. In the second Mg site, Mg is bonded in a 8-coordinate geometry to eight equivalent Mg and six equivalent Pa atoms. All Mg–Pa bond lengths are 3.63 Å. Pa is bonded in a distorted body-centered cubic geometry to fourteen Mg atoms.

Authors:: The Materials Project

Publication Date:: 2020-05-02

Other Number(s):: mp-978291

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; Mg3Pa; Mg-Pa

OSTI Identifier:: 1315903

DOI:: https://doi.org/10.17188/1315903

Citation Formats


                    The Materials Project. Materials Data on Mg3Pa by Materials Project.  United States: N. p., 2020. 
        Web.  doi:10.17188/1315903.

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                    The Materials Project. Materials Data on Mg3Pa by Materials Project.  United States.  doi:https://doi.org/10.17188/1315903

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                    The Materials Project. 2020.  
"Materials Data on Mg3Pa by Materials Project".  United States.  doi:https://doi.org/10.17188/1315903.  https://www.osti.gov/servlets/purl/1315903. Pub date:Sat May 02 00:00:00 EDT 2020

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@article{osti_1315903,

  title        = {Materials Data on Mg3Pa by Materials Project},

  author       = {The Materials Project},

  abstractNote = {Mg3Pa is alpha bismuth trifluoride structured and crystallizes in the cubic Fm-3m space group. The structure is three-dimensional. there are two inequivalent Mg sites. In the first Mg site, Mg is bonded in a body-centered cubic geometry to four equivalent Mg and four equivalent Pa atoms. All Mg–Mg bond lengths are 3.15 Å. All Mg–Pa bond lengths are 3.15 Å. In the second Mg site, Mg is bonded in a 8-coordinate geometry to eight equivalent Mg and six equivalent Pa atoms. All Mg–Pa bond lengths are 3.63 Å. Pa is bonded in a distorted body-centered cubic geometry to fourteen Mg atoms.},

  doi          = {10.17188/1315903},

  journal      = {},

  number       = ,

  volume       = ,

  place        = {United States},

  year         = {2020},

  month        = {5}

}

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DOI: https://doi.org/10.17188/1315903

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