Materials Data on MgSi by Materials Project

doi:10.17188/1748431

Title: Materials Data on MgSi by Materials Project

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Abstract

MgSi crystallizes in the triclinic P-1 space group. The structure is three-dimensional. there are three inequivalent Mg sites. In the first Mg site, Mg is bonded in a 2-coordinate geometry to four Si atoms. There are a spread of Mg–Si bond distances ranging from 2.47–2.89 Å. In the second Mg site, Mg is bonded in a 1-coordinate geometry to three Si atoms. There are a spread of Mg–Si bond distances ranging from 2.39–3.17 Å. In the third Mg site, Mg is bonded in a 3-coordinate geometry to three equivalent Si atoms. There are a spread of Mg–Si bond distances ranging from 2.78–2.88 Å. There are three inequivalent Si sites. In the first Si site, Si is bonded in a 2-coordinate geometry to two Mg and two equivalent Si atoms. There are one shorter (2.26 Å) and one longer (2.55 Å) Si–Si bond lengths. In the second Si site, Si is bonded in a 6-coordinate geometry to five Mg and one Si atom. The Si–Si bond length is 2.27 Å. In the third Si site, Si is bonded in a 6-coordinate geometry to three equivalent Mg and three Si atoms. The Si–Si bond length is 2.17 Å.

Authors:: The Materials Project

Publication Date:: 2020-05-03

Other Number(s):: mp-1073810

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; MgSi; Mg-Si

OSTI Identifier:: 1748431

DOI:: https://doi.org/10.17188/1748431

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                    The Materials Project. Materials Data on MgSi by Materials Project.  United States: N. p., 2020. 
        Web.  doi:10.17188/1748431.

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                    The Materials Project. Materials Data on MgSi by Materials Project.  United States.  doi:https://doi.org/10.17188/1748431

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                    The Materials Project. 2020.  
"Materials Data on MgSi by Materials Project".  United States.  doi:https://doi.org/10.17188/1748431.  https://www.osti.gov/servlets/purl/1748431. Pub date:Sun May 03 00:00:00 EDT 2020

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@article{osti_1748431,

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

  author       = {The Materials Project},

  abstractNote = {MgSi crystallizes in the triclinic P-1 space group. The structure is three-dimensional. there are three inequivalent Mg sites. In the first Mg site, Mg is bonded in a 2-coordinate geometry to four Si atoms. There are a spread of Mg–Si bond distances ranging from 2.47–2.89 Å. In the second Mg site, Mg is bonded in a 1-coordinate geometry to three Si atoms. There are a spread of Mg–Si bond distances ranging from 2.39–3.17 Å. In the third Mg site, Mg is bonded in a 3-coordinate geometry to three equivalent Si atoms. There are a spread of Mg–Si bond distances ranging from 2.78–2.88 Å. There are three inequivalent Si sites. In the first Si site, Si is bonded in a 2-coordinate geometry to two Mg and two equivalent Si atoms. There are one shorter (2.26 Å) and one longer (2.55 Å) Si–Si bond lengths. In the second Si site, Si is bonded in a 6-coordinate geometry to five Mg and one Si atom. The Si–Si bond length is 2.27 Å. In the third Si site, Si is bonded in a 6-coordinate geometry to three equivalent Mg and three Si atoms. The Si–Si bond length is 2.17 Å.},

  doi          = {10.17188/1748431},

  journal      = {},

  number       = ,

  volume       = ,

  place        = {United States},

  year         = {2020},

  month        = {5}

}

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