Materials Data on Li2B4O7 by Materials Project

doi:10.17188/1271495

Title: Materials Data on Li2B4O7 by Materials Project

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Abstract

Li2B4O7 crystallizes in the tetragonal I4_1cd space group. The structure is three-dimensional. Li1+ is bonded in a 4-coordinate geometry to four O2- atoms. There are a spread of Li–O bond distances ranging from 1.89–2.41 Å. There are two inequivalent B3+ sites. In the first B3+ site, B3+ is bonded in a trigonal planar geometry to three O2- atoms. There are a spread of B–O bond distances ranging from 1.30–1.48 Å. In the second B3+ site, B3+ is bonded in a trigonal planar geometry to three O2- atoms. There is two shorter (1.38 Å) and one longer (1.41 Å) B–O bond length. There are four inequivalent O2- sites. In the first O2- site, O2- is bonded in a distorted water-like geometry to one Li1+ and two B3+ atoms. In the second O2- site, O2- is bonded in a 3-coordinate geometry to one Li1+ and two B3+ atoms. In the third O2- site, O2- is bonded in a distorted trigonal planar geometry to two equivalent Li1+ and one B3+ atom. In the fourth O2- site, O2- is bonded in an L-shaped geometry to two equivalent B3+ atoms.

Authors:: The Materials Project

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

Other Number(s):: mp-560463

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; Li2B4O7; B-Li-O

OSTI Identifier:: 1271495

DOI:: https://doi.org/10.17188/1271495

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                    The Materials Project. Materials Data on Li2B4O7 by Materials Project.  United States: N. p., 2020. 
        Web.  doi:10.17188/1271495.

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                    The Materials Project. Materials Data on Li2B4O7 by Materials Project.  United States.  doi:https://doi.org/10.17188/1271495

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                    The Materials Project. 2020.  
"Materials Data on Li2B4O7 by Materials Project".  United States.  doi:https://doi.org/10.17188/1271495.  https://www.osti.gov/servlets/purl/1271495. Pub date:Sat May 02 00:00:00 EDT 2020

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@article{osti_1271495,

  title        = {Materials Data on Li2B4O7 by Materials Project},

  author       = {The Materials Project},

  abstractNote = {Li2B4O7 crystallizes in the tetragonal I4_1cd space group. The structure is three-dimensional. Li1+ is bonded in a 4-coordinate geometry to four O2- atoms. There are a spread of Li–O bond distances ranging from 1.89–2.41 Å. There are two inequivalent B3+ sites. In the first B3+ site, B3+ is bonded in a trigonal planar geometry to three O2- atoms. There are a spread of B–O bond distances ranging from 1.30–1.48 Å. In the second B3+ site, B3+ is bonded in a trigonal planar geometry to three O2- atoms. There is two shorter (1.38 Å) and one longer (1.41 Å) B–O bond length. There are four inequivalent O2- sites. In the first O2- site, O2- is bonded in a distorted water-like geometry to one Li1+ and two B3+ atoms. In the second O2- site, O2- is bonded in a 3-coordinate geometry to one Li1+ and two B3+ atoms. In the third O2- site, O2- is bonded in a distorted trigonal planar geometry to two equivalent Li1+ and one B3+ atom. In the fourth O2- site, O2- is bonded in an L-shaped geometry to two equivalent B3+ atoms.},

  doi          = {10.17188/1271495},

  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/10.17188/1271495

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