Materials Data on Sr4Li(BO3)3 by Materials Project

doi:10.17188/1267686

Title: Materials Data on Sr4Li(BO3)3 by Materials Project

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Abstract

LiSr4(BO3)3 crystallizes in the cubic Ia-3d space group. The structure is three-dimensional. Li1+ is bonded in an octahedral geometry to six equivalent O2- atoms. All Li–O bond lengths are 2.19 Å. There are two inequivalent Sr2+ sites. In the first Sr2+ site, Sr2+ is bonded in a 8-coordinate geometry to eight O2- atoms. There are a spread of Sr–O bond distances ranging from 2.51–2.75 Å. In the second Sr2+ site, Sr2+ is bonded in a 6-coordinate geometry to six equivalent O2- atoms. All Sr–O bond lengths are 2.59 Å. B3+ is bonded in a trigonal planar geometry to three O2- atoms. There is one shorter (1.37 Å) and two longer (1.40 Å) B–O bond length. There are two inequivalent O2- sites. In the first O2- site, O2- is bonded in a distorted single-bond geometry to two equivalent Sr2+ and one B3+ atom. In the second O2- site, O2- is bonded in a 1-coordinate geometry to one Li1+, four Sr2+, and one B3+ atom.

Publication Date:: 2020-04-28

Other Number(s):: mp-554003

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; B-Li-O-Sr; crystal structure; Sr4Li(BO3)3

OSTI Identifier:: 1267686

DOI:: https://doi.org/10.17188/1267686

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                    Materials Data on Sr4Li(BO3)3 by Materials Project.  United States: N. p., 2020. 
        Web.  doi:10.17188/1267686.

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                    Materials Data on Sr4Li(BO3)3 by Materials Project.  United States.  doi:https://doi.org/10.17188/1267686

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                    2020.  
"Materials Data on Sr4Li(BO3)3 by Materials Project".  United States.  doi:https://doi.org/10.17188/1267686.  https://www.osti.gov/servlets/purl/1267686. Pub date:Tue Apr 28 20:00:00 EDT 2020

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@article{osti_1267686,

  title        = {Materials Data on Sr4Li(BO3)3 by Materials Project},

  
  abstractNote = {LiSr4(BO3)3 crystallizes in the cubic Ia-3d space group. The structure is three-dimensional. Li1+ is bonded in an octahedral geometry to six equivalent O2- atoms. All Li–O bond lengths are 2.19 Å. There are two inequivalent Sr2+ sites. In the first Sr2+ site, Sr2+ is bonded in a 8-coordinate geometry to eight O2- atoms. There are a spread of Sr–O bond distances ranging from 2.51–2.75 Å. In the second Sr2+ site, Sr2+ is bonded in a 6-coordinate geometry to six equivalent O2- atoms. All Sr–O bond lengths are 2.59 Å. B3+ is bonded in a trigonal planar geometry to three O2- atoms. There is one shorter (1.37 Å) and two longer (1.40 Å) B–O bond length. There are two inequivalent O2- sites. In the first O2- site, O2- is bonded in a distorted single-bond geometry to two equivalent Sr2+ and one B3+ atom. In the second O2- site, O2- is bonded in a 1-coordinate geometry to one Li1+, four Sr2+, and one B3+ atom.},

  doi          = {10.17188/1267686},

  journal      = {},

  number       = ,

  volume       = ,

  place        = {United States},

  year         = {2020},

  month        = {4}

}

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DOI: https://doi.org/10.17188/1267686

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