Materials Data on LiBi3(IO2)2 by Materials Project

doi:10.17188/1728182

Title: Materials Data on LiBi3(IO2)2 by Materials Project

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Abstract

LiBi3(O2I)2 crystallizes in the orthorhombic Amm2 space group. The structure is three-dimensional. Li1+ is bonded in a distorted square co-planar geometry to four equivalent O2- atoms. All Li–O bond lengths are 2.11 Å. There are three inequivalent Bi3+ sites. In the first Bi3+ site, Bi3+ is bonded in a 4-coordinate geometry to four equivalent O2- and four I1- atoms. All Bi–O bond lengths are 2.28 Å. There are two shorter (3.60 Å) and two longer (3.66 Å) Bi–I bond lengths. In the second Bi3+ site, Bi3+ is bonded in a 4-coordinate geometry to four equivalent O2- and four I1- atoms. All Bi–O bond lengths are 2.29 Å. There are two shorter (3.56 Å) and two longer (3.62 Å) Bi–I bond lengths. In the third Bi3+ site, Bi3+ is bonded in a 4-coordinate geometry to four equivalent O2- and four I1- atoms. All Bi–O bond lengths are 2.30 Å. There are two shorter (3.54 Å) and two longer (3.60 Å) Bi–I bond lengths. O2- is bonded to one Li1+ and three Bi3+ atoms to form a mixture of distorted edge and corner-sharing OLiBi3 tetrahedra. There are two inequivalent I1- sites. In the first I1- site, I1- is bonded in a 6-coordinatemore »« less

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

Other Number(s):: mp-1222461

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; Bi-I-Li-O; LiBi3(IO2)2; crystal structure

OSTI Identifier:: 1728182

DOI:: https://doi.org/10.17188/1728182

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                    Materials Data on LiBi3(IO2)2 by Materials Project.  United States: N. p., 2020. 
        Web.  doi:10.17188/1728182.

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                    Materials Data on LiBi3(IO2)2 by Materials Project.  United States.  doi:https://doi.org/10.17188/1728182

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                    2020.  
"Materials Data on LiBi3(IO2)2 by Materials Project".  United States.  doi:https://doi.org/10.17188/1728182.  https://www.osti.gov/servlets/purl/1728182. Pub date:Sat May 02 00:00:00 EDT 2020

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@article{osti_1728182,

  title        = {Materials Data on LiBi3(IO2)2 by Materials Project},

  
  abstractNote = {LiBi3(O2I)2 crystallizes in the orthorhombic Amm2 space group. The structure is three-dimensional. Li1+ is bonded in a distorted square co-planar geometry to four equivalent O2- atoms. All Li–O bond lengths are 2.11 Å. There are three inequivalent Bi3+ sites. In the first Bi3+ site, Bi3+ is bonded in a 4-coordinate geometry to four equivalent O2- and four I1- atoms. All Bi–O bond lengths are 2.28 Å. There are two shorter (3.60 Å) and two longer (3.66 Å) Bi–I bond lengths. In the second Bi3+ site, Bi3+ is bonded in a 4-coordinate geometry to four equivalent O2- and four I1- atoms. All Bi–O bond lengths are 2.29 Å. There are two shorter (3.56 Å) and two longer (3.62 Å) Bi–I bond lengths. In the third Bi3+ site, Bi3+ is bonded in a 4-coordinate geometry to four equivalent O2- and four I1- atoms. All Bi–O bond lengths are 2.30 Å. There are two shorter (3.54 Å) and two longer (3.60 Å) Bi–I bond lengths. O2- is bonded to one Li1+ and three Bi3+ atoms to form a mixture of distorted edge and corner-sharing OLiBi3 tetrahedra. There are two inequivalent I1- sites. In the first I1- site, I1- is bonded in a 6-coordinate geometry to six Bi3+ atoms. In the second I1- site, I1- is bonded in a 6-coordinate geometry to six Bi3+ atoms.},

  doi          = {10.17188/1728182},

  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/10.17188/1728182

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