Materials Data on LiSiBiO4 by Materials Project

doi:10.17188/1301060

Title: Materials Data on LiSiBiO4 by Materials Project

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Abstract

LiSiBiO4 crystallizes in the orthorhombic Pbcn space group. The structure is three-dimensional. Li1+ is bonded in a 4-coordinate geometry to four equivalent O2- atoms. There are two shorter (1.99 Å) and two longer (2.06 Å) Li–O bond lengths. Si4+ is bonded in a tetrahedral geometry to four O2- atoms. There is two shorter (1.65 Å) and two longer (1.67 Å) Si–O bond length. Bi3+ is bonded in a 6-coordinate geometry to eight O2- atoms. There are a spread of Bi–O bond distances ranging from 2.34–2.94 Å. There are two inequivalent O2- sites. In the first O2- site, O2- is bonded in a 3-coordinate geometry to two equivalent Li1+, one Si4+, and two equivalent Bi3+ atoms. In the second O2- site, O2- is bonded in a distorted single-bond geometry to one Si4+ and two equivalent Bi3+ atoms.

Publication Date:: 2020-05-03

Other Number(s):: mp-772109

DOE Contract Number:: AC02-05CH11231

Research Org.:: LBNL Materials Project; Lawrence Berkeley National Laboratory (LBNL), Berkeley, CA (United States)

Sponsoring Org.:: USDOE Office of Science (SC), Basic Energy Sciences (BES) (SC-22)

Collaborations:: The Materials Project; MIT; UC Berkeley; Duke; U Louvain

Subject:: 36 MATERIALS SCIENCE; Bi-Li-O-Si; LiSiBiO4; crystal structure

OSTI Identifier:: 1301060

DOI:: https://doi.org/10.17188/1301060

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                    Materials Data on LiSiBiO4 by Materials Project.  United States: N. p., 2020. 
        Web.  doi:10.17188/1301060.

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                    Materials Data on LiSiBiO4 by Materials Project.  United States.  doi:https://doi.org/10.17188/1301060

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                    2020.  
"Materials Data on LiSiBiO4 by Materials Project".  United States.  doi:https://doi.org/10.17188/1301060.  https://www.osti.gov/servlets/purl/1301060. Pub date:Sun May 03 00:00:00 EDT 2020

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@article{osti_1301060,

  title        = {Materials Data on LiSiBiO4 by Materials Project},

  
  abstractNote = {LiSiBiO4 crystallizes in the orthorhombic Pbcn space group. The structure is three-dimensional. Li1+ is bonded in a 4-coordinate geometry to four equivalent O2- atoms. There are two shorter (1.99 Å) and two longer (2.06 Å) Li–O bond lengths. Si4+ is bonded in a tetrahedral geometry to four O2- atoms. There is two shorter (1.65 Å) and two longer (1.67 Å) Si–O bond length. Bi3+ is bonded in a 6-coordinate geometry to eight O2- atoms. There are a spread of Bi–O bond distances ranging from 2.34–2.94 Å. There are two inequivalent O2- sites. In the first O2- site, O2- is bonded in a 3-coordinate geometry to two equivalent Li1+, one Si4+, and two equivalent Bi3+ atoms. In the second O2- site, O2- is bonded in a distorted single-bond geometry to one Si4+ and two equivalent Bi3+ atoms.},

  doi          = {10.17188/1301060},

  journal      = {},

  number       = ,

  volume       = ,

  place        = {United States},

  year         = {2020},

  month        = {5}

}

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DOI: https://doi.org/10.17188/1301060

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