Materials Data on MgBi5 by Materials Project

doi:10.17188/1707474

Title: Materials Data on MgBi5 by Materials Project

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Abstract

MgBi5 crystallizes in the orthorhombic Amm2 space group. The structure is three-dimensional. Mg is bonded in a 10-coordinate geometry to ten Bi atoms. There are a spread of Mg–Bi bond distances ranging from 3.19–3.56 Å. There are five inequivalent Bi sites. In the first Bi site, Bi is bonded in a 10-coordinate geometry to four equivalent Mg and six Bi atoms. There are a spread of Bi–Bi bond distances ranging from 3.21–3.49 Å. In the second Bi site, Bi is bonded in a distorted bent 120 degrees geometry to two equivalent Mg and four Bi atoms. Both Bi–Bi bond lengths are 3.42 Å. In the third Bi site, Bi is bonded in a 10-coordinate geometry to ten Bi atoms. There are two shorter (3.43 Å) and four longer (3.66 Å) Bi–Bi bond lengths. In the fourth Bi site, Bi is bonded in a distorted L-shaped geometry to two equivalent Mg and six Bi atoms. In the fifth Bi site, Bi is bonded in a distorted L-shaped geometry to two equivalent Mg and two equivalent Bi atoms.

Authors:: The Materials Project

Publication Date:: 2019-01-11

Other Number(s):: mp-1185698

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; MgBi5; Bi-Mg

OSTI Identifier:: 1707474

DOI:: https://doi.org/10.17188/1707474

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                    The Materials Project. Materials Data on MgBi5 by Materials Project.  United States: N. p., 2019. 
        Web.  doi:10.17188/1707474.

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                    The Materials Project. Materials Data on MgBi5 by Materials Project.  United States.  doi:https://doi.org/10.17188/1707474

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                    The Materials Project. 2019.  
"Materials Data on MgBi5 by Materials Project".  United States.  doi:https://doi.org/10.17188/1707474.  https://www.osti.gov/servlets/purl/1707474. Pub date:Fri Jan 11 00:00:00 EST 2019

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@article{osti_1707474,

  title        = {Materials Data on MgBi5 by Materials Project},

  author       = {The Materials Project},

  abstractNote = {MgBi5 crystallizes in the orthorhombic Amm2 space group. The structure is three-dimensional. Mg is bonded in a 10-coordinate geometry to ten Bi atoms. There are a spread of Mg–Bi bond distances ranging from 3.19–3.56 Å. There are five inequivalent Bi sites. In the first Bi site, Bi is bonded in a 10-coordinate geometry to four equivalent Mg and six Bi atoms. There are a spread of Bi–Bi bond distances ranging from 3.21–3.49 Å. In the second Bi site, Bi is bonded in a distorted bent 120 degrees geometry to two equivalent Mg and four Bi atoms. Both Bi–Bi bond lengths are 3.42 Å. In the third Bi site, Bi is bonded in a 10-coordinate geometry to ten Bi atoms. There are two shorter (3.43 Å) and four longer (3.66 Å) Bi–Bi bond lengths. In the fourth Bi site, Bi is bonded in a distorted L-shaped geometry to two equivalent Mg and six Bi atoms. In the fifth Bi site, Bi is bonded in a distorted L-shaped geometry to two equivalent Mg and two equivalent Bi atoms.},

  doi          = {10.17188/1707474},

  journal      = {},

  number       = ,

  volume       = ,

  place        = {United States},

  year         = {2019},

  month        = {1}

}

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DOI: https://doi.org/10.17188/1707474

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