Materials Data on Mg2Si by Materials Project

doi:10.17188/1275841

Title: Materials Data on Mg2Si by Materials Project

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Abstract

Mg2Si is Cubic Laves structured and crystallizes in the cubic Fd-3m space group. The structure is three-dimensional. Mg2+ is bonded in a distorted hexagonal planar geometry to six equivalent Si4- atoms. All Mg–Si bond lengths are 3.28 Å. Si4- is bonded in a 12-coordinate geometry to twelve equivalent Mg2+ atoms.

Authors:: The Materials Project

Publication Date:: 2020-07-16

Other Number(s):: mp-570657

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; Mg2Si; Mg-Si

OSTI Identifier:: 1275841

DOI:: https://doi.org/10.17188/1275841

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                    The Materials Project. Materials Data on Mg2Si by Materials Project.  United States: N. p., 2020. 
        Web.  doi:10.17188/1275841.

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                    The Materials Project. Materials Data on Mg2Si by Materials Project.  United States.  doi:https://doi.org/10.17188/1275841

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                    The Materials Project. 2020.  
"Materials Data on Mg2Si by Materials Project".  United States.  doi:https://doi.org/10.17188/1275841.  https://www.osti.gov/servlets/purl/1275841. Pub date:Thu Jul 16 00:00:00 EDT 2020

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@article{osti_1275841,

  title        = {Materials Data on Mg2Si by Materials Project},

  author       = {The Materials Project},

  abstractNote = {Mg2Si is Cubic Laves structured and crystallizes in the cubic Fd-3m space group. The structure is three-dimensional. Mg2+ is bonded in a distorted hexagonal planar geometry to six equivalent Si4- atoms. All Mg–Si bond lengths are 3.28 Å. Si4- is bonded in a 12-coordinate geometry to twelve equivalent Mg2+ atoms.},

  doi          = {10.17188/1275841},

  journal      = {},

  number       = ,

  volume       = ,

  place        = {United States},

  year         = {2020},

  month        = {7}

}

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DOI: https://doi.org/10.17188/1275841

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Materials Data on Mg2Si by Materials Project

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Mg2Si is Fluorite structured and crystallizes in the cubic Fm-3m space group. The structure is three-dimensional. Mg2+ is bonded to four equivalent Si4- atoms to form a mixture of edge and corner-sharing MgSi4 tetrahedra. All Mg–Si bond lengths are 2.76 Å. Si4- is bonded in a body-centered cubic geometry to eight equivalent Mg2+ atoms.
Materials Data on Mg2Si by Materials Project

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Mg2Si crystallizes in the hexagonal P6_3/mmc space group. The structure is three-dimensional. there are two inequivalent Mg2+ sites. In the first Mg2+ site, Mg2+ is bonded to five equivalent Si4- atoms to form MgSi5 trigonal bipyramids that share corners with twelve equivalent MgSi6 octahedra, corners with eight equivalent MgSi5 trigonal bipyramids, edges with six equivalent MgSi5 trigonal bipyramids, and faces with six equivalent MgSi6 octahedra. The corner-sharing octahedra tilt angles range from 30–60°. There are three shorter (2.67 Å) and two longer (3.04 Å) Mg–Si bond lengths. In the second Mg2+ site, Mg2+ is bonded to six equivalent Si4- atomsmore »« less
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Mg2Si crystallizes in the triclinic P-1 space group. The structure is three-dimensional. there are four inequivalent Mg2+ sites. In the first Mg2+ site, Mg2+ is bonded in a 4-coordinate geometry to four Si4- atoms. There are a spread of Mg–Si bond distances ranging from 2.74–3.15 Å. In the second Mg2+ site, Mg2+ is bonded in a 3-coordinate geometry to four Si4- atoms. There are a spread of Mg–Si bond distances ranging from 2.71–3.18 Å. In the third Mg2+ site, Mg2+ is bonded in a 4-coordinate geometry to four Si4- atoms. There are a spread of Mg–Si bond distances ranging frommore »« less
Materials Data on Mg2Si by Materials Project

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Mg2Si crystallizes in the triclinic P1 space group. The structure is three-dimensional. there are eight inequivalent Mg2+ sites. In the first Mg2+ site, Mg2+ is bonded to five Si4- atoms to form a mixture of distorted corner and edge-sharing MgSi5 trigonal bipyramids. There are a spread of Mg–Si bond distances ranging from 2.74–2.92 Å. In the second Mg2+ site, Mg2+ is bonded in a 3-coordinate geometry to five Si4- atoms. There are a spread of Mg–Si bond distances ranging from 2.75–3.25 Å. In the third Mg2+ site, Mg2+ is bonded in a 4-coordinate geometry to five Si4- atoms. There aremore »« less
Materials Data on Mg2Si by Materials Project

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Mg2Si crystallizes in the triclinic P-1 space group. The structure is three-dimensional. there are four inequivalent Mg2+ sites. In the first Mg2+ site, Mg2+ is bonded in a distorted trigonal non-coplanar geometry to three Si4- atoms. There are a spread of Mg–Si bond distances ranging from 2.71–2.77 Å. In the second Mg2+ site, Mg2+ is bonded to four Si4- atoms to form a mixture of edge and corner-sharing MgSi4 trigonal pyramids. There are a spread of Mg–Si bond distances ranging from 2.87–3.06 Å. In the third Mg2+ site, Mg2+ is bonded in a distorted trigonal non-coplanar geometry to three Si4-more »« less

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