Materials Data on BaSi23 by Materials Project

doi:10.17188/1204602

Title: Materials Data on BaSi23 by Materials Project

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Abstract

BaSi23 crystallizes in the cubic Pm-3n space group. The structure is three-dimensional. Ba is bonded in a 8-coordinate geometry to twenty Si atoms. There are eight shorter (3.29 Å) and twelve longer (3.40 Å) Ba–Si bond lengths. There are three inequivalent Si sites. In the first Si site, Si is bonded in a distorted pentagonal planar geometry to one Ba and four Si atoms. There are one shorter (2.32 Å) and three longer (2.40 Å) Si–Si bond lengths. In the second Si site, Si is bonded in a tetrahedral geometry to four equivalent Si atoms. All Si–Si bond lengths are 2.39 Å. In the third Si site, Si is bonded in a 5-coordinate geometry to one Ba and four Si atoms. The Si–Si bond length is 2.40 Å.

Authors:: The Materials Project

Publication Date:: 2020-04-29

Other Number(s):: mp-30185

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; BaSi23; Ba-Si

OSTI Identifier:: 1204602

DOI:: https://doi.org/10.17188/1204602

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                    The Materials Project. Materials Data on BaSi23 by Materials Project.  United States: N. p., 2020. 
        Web.  doi:10.17188/1204602.

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                    The Materials Project. Materials Data on BaSi23 by Materials Project.  United States.  doi:https://doi.org/10.17188/1204602

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                    The Materials Project. 2020.  
"Materials Data on BaSi23 by Materials Project".  United States.  doi:https://doi.org/10.17188/1204602.  https://www.osti.gov/servlets/purl/1204602. Pub date:Wed Apr 29 00:00:00 EDT 2020

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@article{osti_1204602,

  title        = {Materials Data on BaSi23 by Materials Project},

  author       = {The Materials Project},

  abstractNote = {BaSi23 crystallizes in the cubic Pm-3n space group. The structure is three-dimensional. Ba is bonded in a 8-coordinate geometry to twenty Si atoms. There are eight shorter (3.29 Å) and twelve longer (3.40 Å) Ba–Si bond lengths. There are three inequivalent Si sites. In the first Si site, Si is bonded in a distorted pentagonal planar geometry to one Ba and four Si atoms. There are one shorter (2.32 Å) and three longer (2.40 Å) Si–Si bond lengths. In the second Si site, Si is bonded in a tetrahedral geometry to four equivalent Si atoms. All Si–Si bond lengths are 2.39 Å. In the third Si site, Si is bonded in a 5-coordinate geometry to one Ba and four Si atoms. The Si–Si bond length is 2.40 Å.},

  doi          = {10.17188/1204602},

  journal      = {},

  number       = ,

  volume       = ,

  place        = {United States},

  year         = {2020},

  month        = {4}

}

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DOI: https://doi.org/10.17188/1204602

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