Materials Data on MgBi2 by Materials Project

doi:10.17188/1732548

Title: Materials Data on MgBi2 by Materials Project

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Abstract

Bi2Mg crystallizes in the monoclinic C2/m space group. The structure is two-dimensional and consists of one Bi2Mg sheet oriented in the (0, 0, 1) direction. Mg is bonded in a 7-coordinate geometry to seven Bi atoms. There are a spread of Mg–Bi bond distances ranging from 3.13–3.32 Å. There are two inequivalent Bi sites. In the first Bi site, Bi is bonded in a 6-coordinate geometry to three equivalent Mg atoms. In the second Bi site, Bi is bonded in a 4-coordinate geometry to four equivalent Mg atoms.

Publication Date:: Sat May 02 00:00:00 EDT 2020

Other Number(s):: mp-1039263

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; MgBi2; crystal structure

OSTI Identifier:: 1732548

DOI:: https://doi.org/10.17188/1732548

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                    Materials Data on MgBi2 by Materials Project.  United States: N. p., 2020. 
        Web.  doi:10.17188/1732548.

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                    Materials Data on MgBi2 by Materials Project.  United States.  doi:https://doi.org/10.17188/1732548

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                    2020.  
"Materials Data on MgBi2 by Materials Project".  United States.  doi:https://doi.org/10.17188/1732548.  https://www.osti.gov/servlets/purl/1732548. Pub date:Sat May 02 00:00:00 EDT 2020

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@article{osti_1732548,

  title        = {Materials Data on MgBi2 by Materials Project},

  
  abstractNote = {Bi2Mg crystallizes in the monoclinic C2/m space group. The structure is two-dimensional and consists of one Bi2Mg sheet oriented in the (0, 0, 1) direction. Mg is bonded in a 7-coordinate geometry to seven Bi atoms. There are a spread of Mg–Bi bond distances ranging from 3.13–3.32 Å. There are two inequivalent Bi sites. In the first Bi site, Bi is bonded in a 6-coordinate geometry to three equivalent Mg atoms. In the second Bi site, Bi is bonded in a 4-coordinate geometry to four equivalent Mg atoms.},

  doi          = {10.17188/1732548},

  journal      = {},

  number       = ,

  volume       = ,

  place        = {United States},

  year         = {Sat May 02 00:00:00 EDT 2020},

  month        = {Sat May 02 00:00:00 EDT 2020}

}

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DOI: https://doi.org/10.17188/1732548

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Materials Data on MgBi2 by Materials Project

Dataset

Bi2Mg crystallizes in the monoclinic C2/m space group. The structure is two-dimensional and consists of one Bi2Mg sheet oriented in the (0, 0, 1) direction. Mg is bonded in a 7-coordinate geometry to seven Bi atoms. There are a spread of Mg–Bi bond distances ranging from 3.08–3.22 Å. There are two inequivalent Bi sites. In the first Bi site, Bi is bonded in a 7-coordinate geometry to two equivalent Mg atoms. In the second Bi site, Bi is bonded in a 5-coordinate geometry to five equivalent Mg atoms.
Materials Data on MgBi2 by Materials Project

Dataset

Bi2Mg crystallizes in the monoclinic C2/m space group. The structure is one-dimensional and consists of two Bi2Mg ribbons oriented in the (0, 1, 0) direction. Mg is bonded in a 6-coordinate geometry to six Bi atoms. There are a spread of Mg–Bi bond distances ranging from 3.18–3.39 Å. There are two inequivalent Bi sites. In the first Bi site, Bi is bonded in a 4-coordinate geometry to four equivalent Mg atoms. In the second Bi site, Bi is bonded in a 12-coordinate geometry to two equivalent Mg atoms.
Materials Data on MgBi2 by Materials Project

Dataset

Bi2Mg crystallizes in the orthorhombic Cmcm space group. The structure is two-dimensional and consists of two Bi2Mg sheets oriented in the (0, 1, 0) direction. Mg is bonded in a 8-coordinate geometry to eight Bi atoms. There are a spread of Mg–Bi bond distances ranging from 3.20–3.40 Å. There are two inequivalent Bi sites. In the first Bi site, Bi is bonded in a 10-coordinate geometry to two equivalent Mg atoms. In the second Bi site, Bi is bonded in a 6-coordinate geometry to six equivalent Mg atoms.
Materials Data on MgBi2 by Materials Project

Dataset

Bi2Mg crystallizes in the monoclinic C2/c space group. The structure is three-dimensional. Mg is bonded in a 12-coordinate geometry to eight equivalent Bi atoms. There are a spread of Mg–Bi bond distances ranging from 3.13–3.55 Å. Bi is bonded in a 1-coordinate geometry to four equivalent Mg atoms.
Materials Data on MgBi2 by Materials Project

Dataset

Bi2Mg crystallizes in the orthorhombic Cmcm space group. The structure is three-dimensional. Mg is bonded in a 12-coordinate geometry to ten equivalent Bi atoms. There are a spread of Mg–Bi bond distances ranging from 3.39–3.48 Å. Bi is bonded to five equivalent Mg and seven equivalent Bi atoms to form a mixture of distorted edge, corner, and face-sharing BiMg5Bi7 cuboctahedra. There are a spread of Bi–Bi bond distances ranging from 3.24–3.54 Å.

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