Materials Data on LiBi(BO3)2 by Materials Project

doi:10.17188/1651459

Title: Materials Data on LiBi(BO3)2 by Materials Project

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Abstract

LiBi(BO3)2 is Calcite-derived structured and crystallizes in the trigonal R-3 space group. The structure is three-dimensional. Li1+ is bonded to six equivalent O2- atoms to form LiO6 octahedra that share corners with six equivalent BiO6 octahedra. The corner-sharing octahedral tilt angles are 58°. All Li–O bond lengths are 2.22 Å. B3+ is bonded in a trigonal planar geometry to three equivalent O2- atoms. All B–O bond lengths are 1.38 Å. Bi5+ is bonded to six equivalent O2- atoms to form BiO6 octahedra that share corners with six equivalent LiO6 octahedra. The corner-sharing octahedral tilt angles are 58°. All Bi–O bond lengths are 2.17 Å. O2- is bonded in a distorted trigonal planar geometry to one Li1+, one B3+, and one Bi5+ atom.

Authors:: The Materials Project

Publication Date:: 2020-05-03

Other Number(s):: mp-1176797

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; LiBi(BO3)2; B-Bi-Li-O

OSTI Identifier:: 1651459

DOI:: https://doi.org/10.17188/1651459

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                    The Materials Project. Materials Data on LiBi(BO3)2 by Materials Project.  United States: N. p., 2020. 
        Web.  doi:10.17188/1651459.

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                    The Materials Project. Materials Data on LiBi(BO3)2 by Materials Project.  United States.  doi:https://doi.org/10.17188/1651459

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                    The Materials Project. 2020.  
"Materials Data on LiBi(BO3)2 by Materials Project".  United States.  doi:https://doi.org/10.17188/1651459.  https://www.osti.gov/servlets/purl/1651459. Pub date:Sun May 03 00:00:00 EDT 2020

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@article{osti_1651459,

  title        = {Materials Data on LiBi(BO3)2 by Materials Project},

  author       = {The Materials Project},

  abstractNote = {LiBi(BO3)2 is Calcite-derived structured and crystallizes in the trigonal R-3 space group. The structure is three-dimensional. Li1+ is bonded to six equivalent O2- atoms to form LiO6 octahedra that share corners with six equivalent BiO6 octahedra. The corner-sharing octahedral tilt angles are 58°. All Li–O bond lengths are 2.22 Å. B3+ is bonded in a trigonal planar geometry to three equivalent O2- atoms. All B–O bond lengths are 1.38 Å. Bi5+ is bonded to six equivalent O2- atoms to form BiO6 octahedra that share corners with six equivalent LiO6 octahedra. The corner-sharing octahedral tilt angles are 58°. All Bi–O bond lengths are 2.17 Å. O2- is bonded in a distorted trigonal planar geometry to one Li1+, one B3+, and one Bi5+ atom.},

  doi          = {10.17188/1651459},

  journal      = {},

  number       = ,

  volume       = ,

  place        = {United States},

  year         = {2020},

  month        = {5}

}

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DOI: https://doi.org/10.17188/1651459

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