Materials Data on Er(BiO2)3 by Materials Project

doi:10.17188/1289657

Title: Materials Data on Er(BiO2)3 by Materials Project

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Abstract

Er(BiO2)3 is Ilmenite-like structured and crystallizes in the trigonal R-3 space group. The structure is three-dimensional. there are two inequivalent Er3+ sites. In the first Er3+ site, Er3+ is bonded in an octahedral geometry to six equivalent O2- atoms. All Er–O bond lengths are 2.27 Å. In the second Er3+ site, Er3+ is bonded in an octahedral geometry to six equivalent O2- atoms. All Er–O bond lengths are 2.26 Å. Bi3+ is bonded in a 6-coordinate geometry to six O2- atoms. There are a spread of Bi–O bond distances ranging from 2.22–2.63 Å. There are two inequivalent O2- sites. In the first O2- site, O2- is bonded to one Er3+ and three equivalent Bi3+ atoms to form a mixture of distorted edge and corner-sharing OErBi3 trigonal pyramids. In the second O2- site, O2- is bonded to one Er3+ and three equivalent Bi3+ atoms to form a mixture of distorted edge and corner-sharing OErBi3 trigonal pyramids.

Authors:: The Materials Project

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

Other Number(s):: mp-754989

DOE Contract Number:: AC02-05CH11231; EDCBEE

Research Org.:: Lawrence Berkeley National Lab. (LBNL), Berkeley, CA (United States). LBNL Materials Project

Sponsoring Org.:: USDOE Office of Science (SC), Basic Energy Sciences (BES)

Collaborations:: MIT; UC Berkeley; Duke; U Louvain

Subject:: 36 MATERIALS SCIENCE

Keywords:: crystal structure; Er(BiO2)3; Bi-Er-O

OSTI Identifier:: 1289657

DOI:: https://doi.org/10.17188/1289657

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                    The Materials Project. Materials Data on Er(BiO2)3 by Materials Project.  United States: N. p., 2020. 
        Web.  doi:10.17188/1289657.

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                    The Materials Project. Materials Data on Er(BiO2)3 by Materials Project.  United States.  doi:https://doi.org/10.17188/1289657

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                    The Materials Project. 2020.  
"Materials Data on Er(BiO2)3 by Materials Project".  United States.  doi:https://doi.org/10.17188/1289657.  https://www.osti.gov/servlets/purl/1289657. Pub date:Sat May 02 00:00:00 EDT 2020

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@article{osti_1289657,

  title        = {Materials Data on Er(BiO2)3 by Materials Project},

  author       = {The Materials Project},

  abstractNote = {Er(BiO2)3 is Ilmenite-like structured and crystallizes in the trigonal R-3 space group. The structure is three-dimensional. there are two inequivalent Er3+ sites. In the first Er3+ site, Er3+ is bonded in an octahedral geometry to six equivalent O2- atoms. All Er–O bond lengths are 2.27 Å. In the second Er3+ site, Er3+ is bonded in an octahedral geometry to six equivalent O2- atoms. All Er–O bond lengths are 2.26 Å. Bi3+ is bonded in a 6-coordinate geometry to six O2- atoms. There are a spread of Bi–O bond distances ranging from 2.22–2.63 Å. There are two inequivalent O2- sites. In the first O2- site, O2- is bonded to one Er3+ and three equivalent Bi3+ atoms to form a mixture of distorted edge and corner-sharing OErBi3 trigonal pyramids. In the second O2- site, O2- is bonded to one Er3+ and three equivalent Bi3+ atoms to form a mixture of distorted edge and corner-sharing OErBi3 trigonal pyramids.},

  doi          = {10.17188/1289657},

  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/10.17188/1289657

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