Materials Data on Er(Bi3O5)4 by Materials Project

doi:10.17188/1301479

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

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Abstract

Er(Bi3O5)4 crystallizes in the cubic I23 space group. The structure is three-dimensional. Er3+ is bonded to four equivalent O2- atoms to form ErO4 tetrahedra that share corners with twelve equivalent BiO5 square pyramids. All Er–O bond lengths are 2.15 Å. Bi+3.08+ is bonded to five O2- atoms to form distorted BiO5 square pyramids that share corners with eight equivalent BiO5 square pyramids, a cornercorner with one ErO4 tetrahedra, and an edgeedge with one BiO5 square pyramid. There are a spread of Bi–O bond distances ranging from 2.11–2.55 Å. There are three inequivalent O2- sites. In the first O2- site, O2- is bonded to one Er3+ and three equivalent Bi+3.08+ atoms to form corner-sharing OErBi3 tetrahedra. In the second O2- site, O2- is bonded in a distorted trigonal non-coplanar geometry to three equivalent Bi+3.08+ atoms. In the third O2- site, O2- is bonded in a trigonal planar geometry to three equivalent Bi+3.08+ atoms.

Publication Date:: 2020-04-30

Other Number(s):: mp-772790

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

OSTI Identifier:: 1301479

DOI:: https://doi.org/10.17188/1301479

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                    Materials Data on Er(Bi3O5)4 by Materials Project.  United States: N. p., 2020. 
        Web.  doi:10.17188/1301479.

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                    Materials Data on Er(Bi3O5)4 by Materials Project.  United States.  doi:https://doi.org/10.17188/1301479

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                    2020.  
"Materials Data on Er(Bi3O5)4 by Materials Project".  United States.  doi:https://doi.org/10.17188/1301479.  https://www.osti.gov/servlets/purl/1301479. Pub date:Thu Apr 30 04:00:00 UTC 2020

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@article{osti_1301479,

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

  
  abstractNote = {Er(Bi3O5)4 crystallizes in the cubic I23 space group. The structure is three-dimensional. Er3+ is bonded to four equivalent O2- atoms to form ErO4 tetrahedra that share corners with twelve equivalent BiO5 square pyramids. All Er–O bond lengths are 2.15 Å. Bi+3.08+ is bonded to five O2- atoms to form distorted BiO5 square pyramids that share corners with eight equivalent BiO5 square pyramids, a cornercorner with one ErO4 tetrahedra, and an edgeedge with one BiO5 square pyramid. There are a spread of Bi–O bond distances ranging from 2.11–2.55 Å. There are three inequivalent O2- sites. In the first O2- site, O2- is bonded to one Er3+ and three equivalent Bi+3.08+ atoms to form corner-sharing OErBi3 tetrahedra. In the second O2- site, O2- is bonded in a distorted trigonal non-coplanar geometry to three equivalent Bi+3.08+ atoms. In the third O2- site, O2- is bonded in a trigonal planar geometry to three equivalent Bi+3.08+ atoms.},

  doi          = {10.17188/1301479},

  journal      = {},

  number       = ,

  volume       = ,

  place        = {United States},

  year         = {2020},

  month        = {4}

}

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DOI: https://doi.org/10.17188/1301479

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