Materials Data on Li2Si by Materials Project

doi:10.17188/1201903

Title: Materials Data on Li2Si by Materials Project

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Abstract

Li2Si crystallizes in the trigonal R-3m space group. The structure is three-dimensional. there are two inequivalent Li sites. In the first Li site, Li is bonded in a distorted trigonal non-coplanar geometry to six equivalent Si atoms. There are three shorter (2.61 Å) and three longer (2.95 Å) Li–Si bond lengths. In the second Li site, Li is bonded to four equivalent Si atoms to form a mixture of distorted corner and edge-sharing LiSi4 tetrahedra. There are one shorter (2.63 Å) and three longer (2.79 Å) Li–Si bond lengths. Si is bonded in a 11-coordinate geometry to ten Li and one Si atom. The Si–Si bond length is 2.29 Å.

Authors:: The Materials Project

Publication Date:: Thu Jul 16 00:00:00 EDT 2020

Other Number(s):: mp-27705

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; Li2Si; Li-Si

OSTI Identifier:: 1201903

DOI:: https://doi.org/10.17188/1201903

Citation Formats


                    The Materials Project. Materials Data on Li2Si by Materials Project.  United States: N. p., 2020. 
        Web.  doi:10.17188/1201903.

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                    The Materials Project. Materials Data on Li2Si by Materials Project.  United States.  doi:https://doi.org/10.17188/1201903

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                    The Materials Project. 2020.  
"Materials Data on Li2Si by Materials Project".  United States.  doi:https://doi.org/10.17188/1201903.  https://www.osti.gov/servlets/purl/1201903. Pub date:Thu Jul 16 00:00:00 EDT 2020

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@article{osti_1201903,

  title        = {Materials Data on Li2Si by Materials Project},

  author       = {The Materials Project},

  abstractNote = {Li2Si crystallizes in the trigonal R-3m space group. The structure is three-dimensional. there are two inequivalent Li sites. In the first Li site, Li is bonded in a distorted trigonal non-coplanar geometry to six equivalent Si atoms. There are three shorter (2.61 Å) and three longer (2.95 Å) Li–Si bond lengths. In the second Li site, Li is bonded to four equivalent Si atoms to form a mixture of distorted corner and edge-sharing LiSi4 tetrahedra. There are one shorter (2.63 Å) and three longer (2.79 Å) Li–Si bond lengths. Si is bonded in a 11-coordinate geometry to ten Li and one Si atom. The Si–Si bond length is 2.29 Å.},

  doi          = {10.17188/1201903},

  journal      = {},

  number       = ,

  volume       = ,

  place        = {United States},

  year         = {Thu Jul 16 00:00:00 EDT 2020},

  month        = {Thu Jul 16 00:00:00 EDT 2020}

}

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DOI: https://doi.org/10.17188/1201903

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