Materials Data on Y(BO2)6 by Materials Project

doi:10.17188/1751048

Title: Materials Data on Y(BO2)6 by Materials Project

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Abstract

Y(BO2)6 crystallizes in the trigonal R3c space group. The structure is three-dimensional. Y is bonded in a 9-coordinate geometry to nine O atoms. There are a spread of Y–O bond distances ranging from 2.36–2.49 Å. There are two inequivalent B sites. In the first B site, B is bonded in a trigonal planar geometry to three O atoms. There are a spread of B–O bond distances ranging from 1.36–1.39 Å. In the second B site, B is bonded in a tetrahedral geometry to four O atoms. There are a spread of B–O bond distances ranging from 1.45–1.51 Å. There are four inequivalent O sites. In the first O site, O is bonded in a 2-coordinate geometry to one Y and two B atoms. In the second O site, O is bonded in a distorted bent 120 degrees geometry to one Y and one B atom. In the third O site, O is bonded in a distorted bent 120 degrees geometry to one Y and two B atoms. In the fourth O site, O is bonded in a bent 120 degrees geometry to two B atoms.

Authors:: The Materials Project

Publication Date:: 2020-05-02

Other Number(s):: mp-1200404

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; Y(BO2)6; B-O-Y

OSTI Identifier:: 1751048

DOI:: https://doi.org/10.17188/1751048

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                    The Materials Project. Materials Data on Y(BO2)6 by Materials Project.  United States: N. p., 2020. 
        Web.  doi:10.17188/1751048.

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                    The Materials Project. Materials Data on Y(BO2)6 by Materials Project.  United States.  doi:https://doi.org/10.17188/1751048

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                    The Materials Project. 2020.  
"Materials Data on Y(BO2)6 by Materials Project".  United States.  doi:https://doi.org/10.17188/1751048.  https://www.osti.gov/servlets/purl/1751048. Pub date:Sat May 02 00:00:00 EDT 2020

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@article{osti_1751048,

  title        = {Materials Data on Y(BO2)6 by Materials Project},

  author       = {The Materials Project},

  abstractNote = {Y(BO2)6 crystallizes in the trigonal R3c space group. The structure is three-dimensional. Y is bonded in a 9-coordinate geometry to nine O atoms. There are a spread of Y–O bond distances ranging from 2.36–2.49 Å. There are two inequivalent B sites. In the first B site, B is bonded in a trigonal planar geometry to three O atoms. There are a spread of B–O bond distances ranging from 1.36–1.39 Å. In the second B site, B is bonded in a tetrahedral geometry to four O atoms. There are a spread of B–O bond distances ranging from 1.45–1.51 Å. There are four inequivalent O sites. In the first O site, O is bonded in a 2-coordinate geometry to one Y and two B atoms. In the second O site, O is bonded in a distorted bent 120 degrees geometry to one Y and one B atom. In the third O site, O is bonded in a distorted bent 120 degrees geometry to one Y and two B atoms. In the fourth O site, O is bonded in a bent 120 degrees geometry to two B atoms.},

  doi          = {10.17188/1751048},

  journal      = {},

  number       = ,

  volume       = ,

  place        = {United States},

  year         = {2020},

  month        = {5}

}

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DOI: https://doi.org/10.17188/1751048

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