Materials Data on Yb(Bi3O5)4 by Materials Project

doi:10.17188/1291389

Title: Materials Data on Yb(Bi3O5)4 by Materials Project

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Abstract

Yb(Bi3O5)4 crystallizes in the cubic I23 space group. The structure is three-dimensional. Yb2+ is bonded in a distorted body-centered cubic geometry to eight O2- atoms. There are four shorter (2.31 Å) and four longer (2.91 Å) Yb–O bond lengths. Bi+3.17+ is bonded to five O2- atoms to form a mixture of distorted corner and edge-sharing BiO5 square pyramids. There are a spread of Bi–O bond distances ranging from 2.11–2.52 Å. There are three inequivalent O2- sites. In the first O2- site, O2- is bonded to one Yb2+ and three equivalent Bi+3.17+ atoms to form a mixture of distorted corner and edge-sharing OYbBi3 trigonal pyramids. In the second O2- site, O2- is bonded in a distorted trigonal non-coplanar geometry to three equivalent Bi+3.17+ atoms. In the third O2- site, O2- is bonded to one Yb2+ and three equivalent Bi+3.17+ atoms to form a mixture of corner and edge-sharing OYbBi3 tetrahedra.

Publication Date:: Wed Apr 29 04:00:00 UTC 2020

Other Number(s):: mp-759324

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-O-Yb; Yb(Bi3O5)4; crystal structure

OSTI Identifier:: 1291389

DOI:: https://doi.org/10.17188/1291389

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                    Materials Data on Yb(Bi3O5)4 by Materials Project.  United States: N. p., 2020. 
        Web.  doi:10.17188/1291389.

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                    Materials Data on Yb(Bi3O5)4 by Materials Project.  United States.  doi:https://doi.org/10.17188/1291389

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                    2020.  
"Materials Data on Yb(Bi3O5)4 by Materials Project".  United States.  doi:https://doi.org/10.17188/1291389.  https://www.osti.gov/servlets/purl/1291389. Pub date:Wed Apr 29 04:00:00 UTC 2020

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@article{osti_1291389,

  title        = {Materials Data on Yb(Bi3O5)4 by Materials Project},

  
  abstractNote = {Yb(Bi3O5)4 crystallizes in the cubic I23 space group. The structure is three-dimensional. Yb2+ is bonded in a distorted body-centered cubic geometry to eight O2- atoms. There are four shorter (2.31 Å) and four longer (2.91 Å) Yb–O bond lengths. Bi+3.17+ is bonded to five O2- atoms to form a mixture of distorted corner and edge-sharing BiO5 square pyramids. There are a spread of Bi–O bond distances ranging from 2.11–2.52 Å. There are three inequivalent O2- sites. In the first O2- site, O2- is bonded to one Yb2+ and three equivalent Bi+3.17+ atoms to form a mixture of distorted corner and edge-sharing OYbBi3 trigonal pyramids. In the second O2- site, O2- is bonded in a distorted trigonal non-coplanar geometry to three equivalent Bi+3.17+ atoms. In the third O2- site, O2- is bonded to one Yb2+ and three equivalent Bi+3.17+ atoms to form a mixture of corner and edge-sharing OYbBi3 tetrahedra.},

  doi          = {10.17188/1291389},

  journal      = {},

  number       = ,

  volume       = ,

  place        = {United States},

  year         = {Wed Apr 29 04:00:00 UTC 2020},

  month        = {Wed Apr 29 04:00:00 UTC 2020}

}

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DOI: https://doi.org/10.17188/1291389

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