Materials Data on Si(Bi3O5)4 by Materials Project

doi:10.17188/1199545

Title: Materials Data on Si(Bi3O5)4 by Materials Project

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Abstract

Bi12SiO20 crystallizes in the cubic I23 space group. The structure is three-dimensional. Si4+ is bonded in a tetrahedral geometry to four equivalent O2- atoms. All Si–O bond lengths are 1.67 Å. Bi3+ is bonded in a 5-coordinate geometry to five O2- atoms. There are a spread of Bi–O bond distances ranging from 2.11–2.68 Å. There are three inequivalent O2- sites. In the first O2- site, O2- is bonded in a 3-coordinate geometry to three equivalent Bi3+ atoms. In the second O2- site, O2- is bonded in a distorted single-bond geometry to one Si4+ and three equivalent Bi3+ atoms. In the third O2- site, O2- is bonded in a trigonal non-coplanar geometry to three equivalent Bi3+ atoms.

Authors:: The Materials Project

Publication Date:: Tue Jul 14 00:00:00 EDT 2020

Other Number(s):: mp-23492

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; Si(Bi3O5)4; Bi-O-Si

OSTI Identifier:: 1199545

DOI:: https://doi.org/10.17188/1199545

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                    The Materials Project. Materials Data on Si(Bi3O5)4 by Materials Project.  United States: N. p., 2020. 
        Web.  doi:10.17188/1199545.

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                    The Materials Project. Materials Data on Si(Bi3O5)4 by Materials Project.  United States.  doi:https://doi.org/10.17188/1199545

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                    The Materials Project. 2020.  
"Materials Data on Si(Bi3O5)4 by Materials Project".  United States.  doi:https://doi.org/10.17188/1199545.  https://www.osti.gov/servlets/purl/1199545. Pub date:Tue Jul 14 00:00:00 EDT 2020

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@article{osti_1199545,

  title        = {Materials Data on Si(Bi3O5)4 by Materials Project},

  author       = {The Materials Project},

  abstractNote = {Bi12SiO20 crystallizes in the cubic I23 space group. The structure is three-dimensional. Si4+ is bonded in a tetrahedral geometry to four equivalent O2- atoms. All Si–O bond lengths are 1.67 Å. Bi3+ is bonded in a 5-coordinate geometry to five O2- atoms. There are a spread of Bi–O bond distances ranging from 2.11–2.68 Å. There are three inequivalent O2- sites. In the first O2- site, O2- is bonded in a 3-coordinate geometry to three equivalent Bi3+ atoms. In the second O2- site, O2- is bonded in a distorted single-bond geometry to one Si4+ and three equivalent Bi3+ atoms. In the third O2- site, O2- is bonded in a trigonal non-coplanar geometry to three equivalent Bi3+ atoms.},

  doi          = {10.17188/1199545},

  journal      = {},

  number       = ,

  volume       = ,

  place        = {United States},

  year         = {Tue Jul 14 00:00:00 EDT 2020},

  month        = {Tue Jul 14 00:00:00 EDT 2020}

}

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DOI: https://doi.org/10.17188/1199545

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