Materials Data on BaO6 by Materials Project

doi:10.17188/1747935

Title: Materials Data on BaO6 by Materials Project

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Abstract

BaO6 crystallizes in the monoclinic C2/c space group. The structure is three-dimensional. Ba is bonded in a 12-coordinate geometry to twelve O atoms. There are a spread of Ba–O bond distances ranging from 2.72–3.07 Å. There are three inequivalent O sites. In the first O site, O is bonded in a 3-coordinate geometry to two equivalent Ba and one O atom. The O–O bond length is 1.29 Å. In the second O site, O is bonded in a distorted trigonal non-coplanar geometry to two equivalent Ba and one O atom. In the third O site, O is bonded in a distorted T-shaped geometry to two equivalent Ba and one O atom. The O–O bond length is 1.35 Å.

Authors:: The Materials Project

Publication Date:: Fri Jun 05 00:00:00 EDT 2020

Other Number(s):: mp-1182169

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; BaO6; Ba-O

OSTI Identifier:: 1747935

DOI:: https://doi.org/10.17188/1747935

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                    The Materials Project. Materials Data on BaO6 by Materials Project.  United States: N. p., 2020. 
        Web.  doi:10.17188/1747935.

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                    The Materials Project. Materials Data on BaO6 by Materials Project.  United States.  doi:https://doi.org/10.17188/1747935

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                    The Materials Project. 2020.  
"Materials Data on BaO6 by Materials Project".  United States.  doi:https://doi.org/10.17188/1747935.  https://www.osti.gov/servlets/purl/1747935. Pub date:Fri Jun 05 00:00:00 EDT 2020

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@article{osti_1747935,

  title        = {Materials Data on BaO6 by Materials Project},

  author       = {The Materials Project},

  abstractNote = {BaO6 crystallizes in the monoclinic C2/c space group. The structure is three-dimensional. Ba is bonded in a 12-coordinate geometry to twelve O atoms. There are a spread of Ba–O bond distances ranging from 2.72–3.07 Å. There are three inequivalent O sites. In the first O site, O is bonded in a 3-coordinate geometry to two equivalent Ba and one O atom. The O–O bond length is 1.29 Å. In the second O site, O is bonded in a distorted trigonal non-coplanar geometry to two equivalent Ba and one O atom. In the third O site, O is bonded in a distorted T-shaped geometry to two equivalent Ba and one O atom. The O–O bond length is 1.35 Å.},

  doi          = {10.17188/1747935},

  journal      = {},

  number       = ,

  volume       = ,

  place        = {United States},

  year         = {Fri Jun 05 00:00:00 EDT 2020},

  month        = {Fri Jun 05 00:00:00 EDT 2020}

}

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DOI: https://doi.org/10.17188/1747935

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