Materials Data on CaMg3 by Materials Project

doi:10.17188/1680263

Title: Materials Data on CaMg3 by Materials Project

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Abstract

Mg3Ca is alpha bismuth trifluoride structured and crystallizes in the cubic Fm-3m space group. The structure is three-dimensional. Ca is bonded in a body-centered cubic geometry to fourteen Mg atoms. There are eight shorter (3.24 Å) and six longer (3.75 Å) Ca–Mg bond lengths. There are two inequivalent Mg sites. In the first Mg site, Mg is bonded in a 8-coordinate geometry to six equivalent Ca and eight equivalent Mg atoms. All Mg–Mg bond lengths are 3.24 Å. In the second Mg site, Mg is bonded in a body-centered cubic geometry to four equivalent Ca and four equivalent Mg atoms.

Authors:: The Materials Project

Publication Date:: 2020-05-02

Other Number(s):: mp-1094734

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; CaMg3; Ca-Mg

OSTI Identifier:: 1680263

DOI:: https://doi.org/10.17188/1680263

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                    The Materials Project. Materials Data on CaMg3 by Materials Project.  United States: N. p., 2020. 
        Web.  doi:10.17188/1680263.

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                    The Materials Project. Materials Data on CaMg3 by Materials Project.  United States.  doi:https://doi.org/10.17188/1680263

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                    The Materials Project. 2020.  
"Materials Data on CaMg3 by Materials Project".  United States.  doi:https://doi.org/10.17188/1680263.  https://www.osti.gov/servlets/purl/1680263. Pub date:Sat May 02 00:00:00 EDT 2020

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@article{osti_1680263,

  title        = {Materials Data on CaMg3 by Materials Project},

  author       = {The Materials Project},

  abstractNote = {Mg3Ca is alpha bismuth trifluoride structured and crystallizes in the cubic Fm-3m space group. The structure is three-dimensional. Ca is bonded in a body-centered cubic geometry to fourteen Mg atoms. There are eight shorter (3.24 Å) and six longer (3.75 Å) Ca–Mg bond lengths. There are two inequivalent Mg sites. In the first Mg site, Mg is bonded in a 8-coordinate geometry to six equivalent Ca and eight equivalent Mg atoms. All Mg–Mg bond lengths are 3.24 Å. In the second Mg site, Mg is bonded in a body-centered cubic geometry to four equivalent Ca and four equivalent Mg atoms.},

  doi          = {10.17188/1680263},

  journal      = {},

  number       = ,

  volume       = ,

  place        = {United States},

  year         = {2020},

  month        = {5}

}

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DOI: https://doi.org/10.17188/1680263

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