Materials Data on Yb(BO2)3 by Materials Project

doi:10.17188/1291680

Title: Materials Data on Yb(BO2)3 by Materials Project

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Abstract

Yb(BO2)3 crystallizes in the monoclinic C2/c space group. The structure is three-dimensional. Yb3+ is bonded in a 2-coordinate geometry to ten O2- atoms. There are a spread of Yb–O bond distances ranging from 2.34–2.85 Å. There are two inequivalent B3+ sites. In the first B3+ site, B3+ is bonded in a tetrahedral geometry to four O2- atoms. There is two shorter (1.45 Å) and two longer (1.48 Å) B–O bond length. In the second B3+ site, B3+ is bonded in a trigonal planar geometry to three O2- atoms. There are a spread of B–O bond distances ranging from 1.33–1.41 Å. There are three inequivalent O2- sites. In the first O2- site, O2- is bonded in a 2-coordinate geometry to one Yb3+ and two B3+ atoms. In the second O2- site, O2- is bonded in a distorted bent 120 degrees geometry to two equivalent Yb3+ and two B3+ atoms. In the third O2- site, O2- is bonded in a distorted single-bond geometry to two equivalent Yb3+ and one B3+ atom.

Authors:: The Materials Project

Publication Date:: 2020-05-01

Other Number(s):: mp-760657

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; Yb(BO2)3; B-O-Yb

OSTI Identifier:: 1291680

DOI:: https://doi.org/10.17188/1291680

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                    The Materials Project. Materials Data on Yb(BO2)3 by Materials Project.  United States: N. p., 2020. 
        Web.  doi:10.17188/1291680.

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                    The Materials Project. Materials Data on Yb(BO2)3 by Materials Project.  United States.  doi:https://doi.org/10.17188/1291680

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                    The Materials Project. 2020.  
"Materials Data on Yb(BO2)3 by Materials Project".  United States.  doi:https://doi.org/10.17188/1291680.  https://www.osti.gov/servlets/purl/1291680. Pub date:Fri May 01 00:00:00 EDT 2020

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@article{osti_1291680,

  title        = {Materials Data on Yb(BO2)3 by Materials Project},

  author       = {The Materials Project},

  abstractNote = {Yb(BO2)3 crystallizes in the monoclinic C2/c space group. The structure is three-dimensional. Yb3+ is bonded in a 2-coordinate geometry to ten O2- atoms. There are a spread of Yb–O bond distances ranging from 2.34–2.85 Å. There are two inequivalent B3+ sites. In the first B3+ site, B3+ is bonded in a tetrahedral geometry to four O2- atoms. There is two shorter (1.45 Å) and two longer (1.48 Å) B–O bond length. In the second B3+ site, B3+ is bonded in a trigonal planar geometry to three O2- atoms. There are a spread of B–O bond distances ranging from 1.33–1.41 Å. There are three inequivalent O2- sites. In the first O2- site, O2- is bonded in a 2-coordinate geometry to one Yb3+ and two B3+ atoms. In the second O2- site, O2- is bonded in a distorted bent 120 degrees geometry to two equivalent Yb3+ and two B3+ atoms. In the third O2- site, O2- is bonded in a distorted single-bond geometry to two equivalent Yb3+ and one B3+ atom.},

  doi          = {10.17188/1291680},

  journal      = {},

  number       = ,

  volume       = ,

  place        = {United States},

  year         = {2020},

  month        = {5}

}

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DOI: https://doi.org/10.17188/1291680

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