Materials Data on MgSi2 by Materials Project

doi:10.17188/1708046

Title: Materials Data on MgSi2 by Materials Project

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Abstract

MgSi2 crystallizes in the triclinic P-1 space group. The structure is three-dimensional. Mg is bonded in a 8-coordinate geometry to three equivalent Mg and eleven Si atoms. There are two shorter (3.07 Å) and one longer (3.28 Å) Mg–Mg bond lengths. There are a spread of Mg–Si bond distances ranging from 2.84–3.26 Å. There are two inequivalent Si sites. In the first Si site, Si is bonded in a 9-coordinate geometry to five equivalent Mg and four Si atoms. There are three shorter (2.52 Å) and one longer (2.57 Å) Si–Si bond lengths. In the second Si site, Si is bonded in a 10-coordinate geometry to six equivalent Mg and four Si atoms. The Si–Si bond length is 2.48 Å.

Publication Date:: 2020-05-05

Other Number(s):: mp-1073254

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; Mg-Si; MgSi2; crystal structure

OSTI Identifier:: 1708046

DOI:: https://doi.org/10.17188/1708046

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                    Materials Data on MgSi2 by Materials Project.  United States: N. p., 2020. 
        Web.  doi:10.17188/1708046.

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                    Materials Data on MgSi2 by Materials Project.  United States.  doi:https://doi.org/10.17188/1708046

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                    2020.  
"Materials Data on MgSi2 by Materials Project".  United States.  doi:https://doi.org/10.17188/1708046.  https://www.osti.gov/servlets/purl/1708046. Pub date:Tue May 05 04:00:00 UTC 2020

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@article{osti_1708046,

  title        = {Materials Data on MgSi2 by Materials Project},

  
  abstractNote = {MgSi2 crystallizes in the triclinic P-1 space group. The structure is three-dimensional. Mg is bonded in a 8-coordinate geometry to three equivalent Mg and eleven Si atoms. There are two shorter (3.07 Å) and one longer (3.28 Å) Mg–Mg bond lengths. There are a spread of Mg–Si bond distances ranging from 2.84–3.26 Å. There are two inequivalent Si sites. In the first Si site, Si is bonded in a 9-coordinate geometry to five equivalent Mg and four Si atoms. There are three shorter (2.52 Å) and one longer (2.57 Å) Si–Si bond lengths. In the second Si site, Si is bonded in a 10-coordinate geometry to six equivalent Mg and four Si atoms. The Si–Si bond length is 2.48 Å.},

  doi          = {10.17188/1708046},

  journal      = {},

  number       = ,

  volume       = ,

  place        = {United States},

  year         = {2020},

  month        = {5}

}

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DOI: https://doi.org/10.17188/1708046

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Materials Data on MgSi2 by Materials Project

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