Materials Data on YbBO3 by Materials Project

doi:10.17188/1190571

Title: Materials Data on YbBO3 by Materials Project

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Abstract

YbBO3 crystallizes in the hexagonal P6_3/mcm space group. The structure is three-dimensional. there are two inequivalent Yb3+ sites. In the first Yb3+ site, Yb3+ is bonded in a 6-coordinate geometry to six equivalent O2- atoms. All Yb–O bond lengths are 2.48 Å. In the second Yb3+ site, Yb3+ is bonded in a distorted octahedral geometry to six equivalent O2- atoms. All Yb–O bond lengths are 2.33 Å. B3+ is bonded in a trigonal planar geometry to three O2- atoms. All B–O bond lengths are 1.37 Å. There are two inequivalent O2- sites. In the first O2- site, O2- is bonded in a distorted single-bond geometry to three Yb3+ and one B3+ atom. In the second O2- site, O2- is bonded in a single-bond geometry to one B3+ atom.

Authors:: The Materials Project

Publication Date:: 2020-07-23

Other Number(s):: mp-14237

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; YbBO3; B-O-Yb

OSTI Identifier:: 1190571

DOI:: https://doi.org/10.17188/1190571

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                    The Materials Project. Materials Data on YbBO3 by Materials Project.  United States: N. p., 2020. 
        Web.  doi:10.17188/1190571.

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                    The Materials Project. Materials Data on YbBO3 by Materials Project.  United States.  doi:https://doi.org/10.17188/1190571

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                    The Materials Project. 2020.  
"Materials Data on YbBO3 by Materials Project".  United States.  doi:https://doi.org/10.17188/1190571.  https://www.osti.gov/servlets/purl/1190571. Pub date:Thu Jul 23 00:00:00 EDT 2020

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@article{osti_1190571,

  title        = {Materials Data on YbBO3 by Materials Project},

  author       = {The Materials Project},

  abstractNote = {YbBO3 crystallizes in the hexagonal P6_3/mcm space group. The structure is three-dimensional. there are two inequivalent Yb3+ sites. In the first Yb3+ site, Yb3+ is bonded in a 6-coordinate geometry to six equivalent O2- atoms. All Yb–O bond lengths are 2.48 Å. In the second Yb3+ site, Yb3+ is bonded in a distorted octahedral geometry to six equivalent O2- atoms. All Yb–O bond lengths are 2.33 Å. B3+ is bonded in a trigonal planar geometry to three O2- atoms. All B–O bond lengths are 1.37 Å. There are two inequivalent O2- sites. In the first O2- site, O2- is bonded in a distorted single-bond geometry to three Yb3+ and one B3+ atom. In the second O2- site, O2- is bonded in a single-bond geometry to one B3+ atom.},

  doi          = {10.17188/1190571},

  journal      = {},

  number       = ,

  volume       = ,

  place        = {United States},

  year         = {2020},

  month        = {7}

}

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DOI: https://doi.org/10.17188/1190571

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