Materials Data on Li(Bi3O5)4 by Materials Project

doi:10.17188/1298603

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

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Abstract

Li(Bi3O5)4 crystallizes in the cubic I23 space group. The structure is three-dimensional. Li1+ is bonded to four equivalent O2- atoms to form LiO4 tetrahedra that share corners with twelve equivalent BiO5 square pyramids. All Li–O bond lengths are 2.10 Å. Bi+3.25+ is bonded to five O2- atoms to form distorted BiO5 square pyramids that share corners with eight equivalent BiO5 square pyramids, a cornercorner with one LiO4 tetrahedra, and an edgeedge with one BiO5 square pyramid. There are a spread of Bi–O bond distances ranging from 2.10–2.53 Å. There are three inequivalent O2- sites. In the first O2- site, O2- is bonded in a trigonal planar geometry to three equivalent Bi+3.25+ atoms. In the second O2- site, O2- is bonded in a distorted trigonal non-coplanar geometry to three equivalent Bi+3.25+ atoms. In the third O2- site, O2- is bonded to one Li1+ and three equivalent Bi+3.25+ atoms to form corner-sharing OLiBi3 tetrahedra.

Authors:: The Materials Project

Publication Date:: Sat May 02 00:00:00 EDT 2020

Other Number(s):: mp-769006

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

OSTI Identifier:: 1298603

DOI:: https://doi.org/10.17188/1298603

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                    The Materials Project. Materials Data on Li(Bi3O5)4 by Materials Project.  United States: N. p., 2020. 
        Web.  doi:10.17188/1298603.

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                    The Materials Project. Materials Data on Li(Bi3O5)4 by Materials Project.  United States.  doi:https://doi.org/10.17188/1298603

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                    The Materials Project. 2020.  
"Materials Data on Li(Bi3O5)4 by Materials Project".  United States.  doi:https://doi.org/10.17188/1298603.  https://www.osti.gov/servlets/purl/1298603. Pub date:Sat May 02 00:00:00 EDT 2020

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@article{osti_1298603,

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

  author       = {The Materials Project},

  abstractNote = {Li(Bi3O5)4 crystallizes in the cubic I23 space group. The structure is three-dimensional. Li1+ is bonded to four equivalent O2- atoms to form LiO4 tetrahedra that share corners with twelve equivalent BiO5 square pyramids. All Li–O bond lengths are 2.10 Å. Bi+3.25+ is bonded to five O2- atoms to form distorted BiO5 square pyramids that share corners with eight equivalent BiO5 square pyramids, a cornercorner with one LiO4 tetrahedra, and an edgeedge with one BiO5 square pyramid. There are a spread of Bi–O bond distances ranging from 2.10–2.53 Å. There are three inequivalent O2- sites. In the first O2- site, O2- is bonded in a trigonal planar geometry to three equivalent Bi+3.25+ atoms. In the second O2- site, O2- is bonded in a distorted trigonal non-coplanar geometry to three equivalent Bi+3.25+ atoms. In the third O2- site, O2- is bonded to one Li1+ and three equivalent Bi+3.25+ atoms to form corner-sharing OLiBi3 tetrahedra.},

  doi          = {10.17188/1298603},

  journal      = {},

  number       = ,

  volume       = ,

  place        = {United States},

  year         = {Sat May 02 00:00:00 EDT 2020},

  month        = {Sat May 02 00:00:00 EDT 2020}

}

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DOI: https://doi.org/10.17188/1298603

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