Materials Data on Ba2Mg(BO2)6 by Materials Project

doi:10.17188/1350714

Title: Materials Data on Ba2Mg(BO2)6 by Materials Project

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Abstract

Ba2Mg(B3O6)2 crystallizes in the trigonal R-3 space group. The structure is three-dimensional. Ba2+ is bonded in a 9-coordinate geometry to nine O2- atoms. There are a spread of Ba–O bond distances ranging from 2.78–2.94 Å. Mg2+ is bonded in an octahedral geometry to six equivalent O2- atoms. All Mg–O bond lengths are 2.15 Å. B3+ is bonded in a trigonal planar geometry to three O2- atoms. There are a spread of B–O bond distances ranging from 1.33–1.42 Å. There are two inequivalent O2- sites. In the first O2- site, O2- is bonded in a bent 120 degrees geometry to one Ba2+ and two equivalent B3+ atoms. In the second O2- site, O2- is bonded in a 1-coordinate geometry to two equivalent Ba2+, one Mg2+, and one B3+ atom.

Publication Date:: Wed Jul 15 04:00:00 UTC 2020

Other Number(s):: mp-1019528

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; B-Ba-Mg-O; Ba2Mg(BO2)6; crystal structure

OSTI Identifier:: 1350714

DOI:: https://doi.org/10.17188/1350714

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                    Materials Data on Ba2Mg(BO2)6 by Materials Project.  United States: N. p., 2020. 
        Web.  doi:10.17188/1350714.

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                    Materials Data on Ba2Mg(BO2)6 by Materials Project.  United States.  doi:https://doi.org/10.17188/1350714

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                    2020.  
"Materials Data on Ba2Mg(BO2)6 by Materials Project".  United States.  doi:https://doi.org/10.17188/1350714.  https://www.osti.gov/servlets/purl/1350714. Pub date:Wed Jul 15 04:00:00 UTC 2020

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@article{osti_1350714,

  title        = {Materials Data on Ba2Mg(BO2)6 by Materials Project},

  
  abstractNote = {Ba2Mg(B3O6)2 crystallizes in the trigonal R-3 space group. The structure is three-dimensional. Ba2+ is bonded in a 9-coordinate geometry to nine O2- atoms. There are a spread of Ba–O bond distances ranging from 2.78–2.94 Å. Mg2+ is bonded in an octahedral geometry to six equivalent O2- atoms. All Mg–O bond lengths are 2.15 Å. B3+ is bonded in a trigonal planar geometry to three O2- atoms. There are a spread of B–O bond distances ranging from 1.33–1.42 Å. There are two inequivalent O2- sites. In the first O2- site, O2- is bonded in a bent 120 degrees geometry to one Ba2+ and two equivalent B3+ atoms. In the second O2- site, O2- is bonded in a 1-coordinate geometry to two equivalent Ba2+, one Mg2+, and one B3+ atom.},

  doi          = {10.17188/1350714},

  journal      = {},

  number       = ,

  volume       = ,

  place        = {United States},

  year         = {Wed Jul 15 04:00:00 UTC 2020},

  month        = {Wed Jul 15 04:00:00 UTC 2020}

}

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DOI: https://doi.org/10.17188/1350714

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