Materials Data on LiBi3(ClO2)2 by Materials Project

doi:10.17188/1714054

Title: Materials Data on LiBi3(ClO2)2 by Materials Project

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Abstract

LiBi3O4Cl2 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 2.06 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 Cl1- atoms. All Bi–O bond lengths are 2.25 Å. There are two shorter (3.39 Å) and two longer (3.46 Å) Bi–Cl bond lengths. In the second Bi3+ site, Bi3+ is bonded in a 4-coordinate geometry to four equivalent O2- and four Cl1- atoms. All Bi–O bond lengths are 2.26 Å. There are two shorter (3.28 Å) and two longer (3.35 Å) Bi–Cl bond lengths. In the third Bi3+ site, Bi3+ is bonded in a 4-coordinate geometry to four equivalent O2- and four Cl1- atoms. All Bi–O bond lengths are 2.28 Å. There are two shorter (3.26 Å) and two longer (3.32 Å) Bi–Cl bond lengths. O2- is bonded to one Li1+ and three Bi3+ atoms to form a mixture of distorted corner and edge-sharing OLiBi3 tetrahedra. There are two inequivalent Cl1- sites. In the first Cl1- site, Cl1- is bonded in a 6-coordinatemore »« less

Publication Date:: Sun May 03 00:00:00 EDT 2020

Other Number(s):: mp-1222452

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-Cl-Li-O; LiBi3(ClO2)2; crystal structure

OSTI Identifier:: 1714054

DOI:: https://doi.org/10.17188/1714054

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                    Materials Data on LiBi3(ClO2)2 by Materials Project.  United States: N. p., 2020. 
        Web.  doi:10.17188/1714054.

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                    Materials Data on LiBi3(ClO2)2 by Materials Project.  United States.  doi:https://doi.org/10.17188/1714054

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                    2020.  
"Materials Data on LiBi3(ClO2)2 by Materials Project".  United States.  doi:https://doi.org/10.17188/1714054.  https://www.osti.gov/servlets/purl/1714054. Pub date:Sun May 03 00:00:00 EDT 2020

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@article{osti_1714054,

  title        = {Materials Data on LiBi3(ClO2)2 by Materials Project},

  
  abstractNote = {LiBi3O4Cl2 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 2.06 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 Cl1- atoms. All Bi–O bond lengths are 2.25 Å. There are two shorter (3.39 Å) and two longer (3.46 Å) Bi–Cl bond lengths. In the second Bi3+ site, Bi3+ is bonded in a 4-coordinate geometry to four equivalent O2- and four Cl1- atoms. All Bi–O bond lengths are 2.26 Å. There are two shorter (3.28 Å) and two longer (3.35 Å) Bi–Cl bond lengths. In the third Bi3+ site, Bi3+ is bonded in a 4-coordinate geometry to four equivalent O2- and four Cl1- atoms. All Bi–O bond lengths are 2.28 Å. There are two shorter (3.26 Å) and two longer (3.32 Å) Bi–Cl bond lengths. O2- is bonded to one Li1+ and three Bi3+ atoms to form a mixture of distorted corner and edge-sharing OLiBi3 tetrahedra. There are two inequivalent Cl1- sites. In the first Cl1- site, Cl1- is bonded in a 6-coordinate geometry to six Bi3+ atoms. In the second Cl1- site, Cl1- is bonded in a 6-coordinate geometry to six Bi3+ atoms.},

  doi          = {10.17188/1714054},

  journal      = {},

  number       = ,

  volume       = ,

  place        = {United States},

  year         = {Sun May 03 00:00:00 EDT 2020},

  month        = {Sun May 03 00:00:00 EDT 2020}

}

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DOI: https://doi.org/10.17188/1714054

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