Materials Data on Li2BiBO4 by Materials Project

doi:10.17188/1298488

Title: Materials Data on Li2BiBO4 by Materials Project

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Abstract

Li2BBiO4 crystallizes in the orthorhombic Pnma space group. The structure is three-dimensional. Li1+ is bonded to four O2- atoms to form LiO4 tetrahedra that share corners with two equivalent LiO4 tetrahedra, corners with four equivalent BO4 tetrahedra, and an edgeedge with one LiO4 tetrahedra. There are a spread of Li–O bond distances ranging from 1.95–2.07 Å. B3+ is bonded to four O2- atoms to form BO4 tetrahedra that share corners with eight equivalent LiO4 tetrahedra. There are a spread of B–O bond distances ranging from 1.47–1.55 Å. Bi3+ is bonded in a 5-coordinate geometry to five O2- atoms. There are a spread of Bi–O bond distances ranging from 2.22–2.55 Å. There are three inequivalent O2- sites. In the first O2- site, O2- is bonded in a 4-coordinate geometry to two equivalent Li1+, one B3+, and one Bi3+ atom. In the second O2- site, O2- is bonded in a distorted trigonal pyramidal geometry to two equivalent Li1+, one B3+, and one Bi3+ atom. In the third O2- site, O2- is bonded in a 5-coordinate geometry to two equivalent Li1+, one B3+, and two equivalent Bi3+ atoms.

Authors:: The Materials Project

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

Other Number(s):: mp-768731

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; Li2BiBO4; B-Bi-Li-O

OSTI Identifier:: 1298488

DOI:: https://doi.org/10.17188/1298488

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                    The Materials Project. Materials Data on Li2BiBO4 by Materials Project.  United States: N. p., 2020. 
        Web.  doi:10.17188/1298488.

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                    The Materials Project. Materials Data on Li2BiBO4 by Materials Project.  United States.  doi:https://doi.org/10.17188/1298488

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                    The Materials Project. 2020.  
"Materials Data on Li2BiBO4 by Materials Project".  United States.  doi:https://doi.org/10.17188/1298488.  https://www.osti.gov/servlets/purl/1298488. Pub date:Sat May 02 00:00:00 EDT 2020

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@article{osti_1298488,

  title        = {Materials Data on Li2BiBO4 by Materials Project},

  author       = {The Materials Project},

  abstractNote = {Li2BBiO4 crystallizes in the orthorhombic Pnma space group. The structure is three-dimensional. Li1+ is bonded to four O2- atoms to form LiO4 tetrahedra that share corners with two equivalent LiO4 tetrahedra, corners with four equivalent BO4 tetrahedra, and an edgeedge with one LiO4 tetrahedra. There are a spread of Li–O bond distances ranging from 1.95–2.07 Å. B3+ is bonded to four O2- atoms to form BO4 tetrahedra that share corners with eight equivalent LiO4 tetrahedra. There are a spread of B–O bond distances ranging from 1.47–1.55 Å. Bi3+ is bonded in a 5-coordinate geometry to five O2- atoms. There are a spread of Bi–O bond distances ranging from 2.22–2.55 Å. There are three inequivalent O2- sites. In the first O2- site, O2- is bonded in a 4-coordinate geometry to two equivalent Li1+, one B3+, and one Bi3+ atom. In the second O2- site, O2- is bonded in a distorted trigonal pyramidal geometry to two equivalent Li1+, one B3+, and one Bi3+ atom. In the third O2- site, O2- is bonded in a 5-coordinate geometry to two equivalent Li1+, one B3+, and two equivalent Bi3+ atoms.},

  doi          = {10.17188/1298488},

  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/10.17188/1298488

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