Materials Data on MgBi by Materials Project

doi:10.17188/1699994

Title: Materials Data on MgBi by Materials Project

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Abstract

MgBi crystallizes in the monoclinic Cm space group. The structure is three-dimensional. there are three inequivalent Mg sites. In the first Mg site, Mg is bonded in a 5-coordinate geometry to five Bi atoms. There are a spread of Mg–Bi bond distances ranging from 2.95–3.19 Å. In the second Mg site, Mg is bonded in a 12-coordinate geometry to five Bi atoms. There are a spread of Mg–Bi bond distances ranging from 3.12–3.23 Å. In the third Mg site, Mg is bonded in a 5-coordinate geometry to five Bi atoms. There are a spread of Mg–Bi bond distances ranging from 3.36–3.49 Å. There are three inequivalent Bi sites. In the first Bi site, Bi is bonded in a 4-coordinate geometry to four Mg atoms. In the second Bi site, Bi is bonded in a 6-coordinate geometry to six Mg atoms. In the third Bi site, Bi is bonded in a 10-coordinate geometry to five Mg atoms.

Publication Date:: 2020-05-02

Other Number(s):: mp-1039050

DOE Contract Number:: AC02-05CH11231

Research Org.:: LBNL Materials Project; Lawrence Berkeley National Laboratory (LBNL), Berkeley, CA (United States)

Sponsoring Org.:: USDOE Office of Science (SC), Basic Energy Sciences (BES) (SC-22)

Collaborations:: The Materials Project; MIT; UC Berkeley; Duke; U Louvain

Subject:: 36 MATERIALS SCIENCE; Bi-Mg; MgBi; crystal structure

OSTI Identifier:: 1699994

DOI:: https://doi.org/10.17188/1699994

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                    Materials Data on MgBi by Materials Project.  United States: N. p., 2020. 
        Web.  doi:10.17188/1699994.

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                    Materials Data on MgBi by Materials Project.  United States.  doi:https://doi.org/10.17188/1699994

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                    2020.  
"Materials Data on MgBi by Materials Project".  United States.  doi:https://doi.org/10.17188/1699994.  https://www.osti.gov/servlets/purl/1699994. Pub date:Sat May 02 04:00:00 UTC 2020

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@article{osti_1699994,

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

  
  abstractNote = {MgBi crystallizes in the monoclinic Cm space group. The structure is three-dimensional. there are three inequivalent Mg sites. In the first Mg site, Mg is bonded in a 5-coordinate geometry to five Bi atoms. There are a spread of Mg–Bi bond distances ranging from 2.95–3.19 Å. In the second Mg site, Mg is bonded in a 12-coordinate geometry to five Bi atoms. There are a spread of Mg–Bi bond distances ranging from 3.12–3.23 Å. In the third Mg site, Mg is bonded in a 5-coordinate geometry to five Bi atoms. There are a spread of Mg–Bi bond distances ranging from 3.36–3.49 Å. There are three inequivalent Bi sites. In the first Bi site, Bi is bonded in a 4-coordinate geometry to four Mg atoms. In the second Bi site, Bi is bonded in a 6-coordinate geometry to six Mg atoms. In the third Bi site, Bi is bonded in a 10-coordinate geometry to five Mg atoms.},

  doi          = {10.17188/1699994},

  journal      = {},

  number       = ,

  volume       = ,

  place        = {United States},

  year         = {2020},

  month        = {5}

}

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DOI: https://doi.org/10.17188/1699994

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Materials Data on MgBi by Materials Project

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MgBi crystallizes in the monoclinic Cm space group. The structure is three-dimensional. there are three inequivalent Mg sites. In the first Mg site, Mg is bonded to five Mg and seven Bi atoms to form a mixture of distorted corner and face-sharing MgMg5Bi7 cuboctahedra. There are a spread of Mg–Mg bond distances ranging from 3.19–3.37 Å. There are a spread of Mg–Bi bond distances ranging from 3.34–3.62 Å. In the second Mg site, Mg is bonded in a 6-coordinate geometry to one Mg and six Bi atoms. There are a spread of Mg–Bi bond distances ranging from 3.16–3.30 Å. Inmore »« less
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MgBi is Tungsten Carbide structured and crystallizes in the hexagonal P-6m2 space group. The structure is three-dimensional. Mg is bonded in a 6-coordinate geometry to six equivalent Bi atoms. All Mg–Bi bond lengths are 3.16 Å. Bi is bonded in a 6-coordinate geometry to six equivalent Mg atoms.

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