Materials Data on Ba3Ce2O6 by Materials Project

doi:10.17188/1729183

Title: Materials Data on Ba3Ce2O6 by Materials Project

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Abstract

Ba3Ce2O6 crystallizes in the trigonal R-3c space group. The structure is three-dimensional. Ba2+ is bonded in a 8-coordinate geometry to eight equivalent O2- atoms. There are a spread of Ba–O bond distances ranging from 2.65–3.19 Å. There are two inequivalent Ce3+ sites. In the first Ce3+ site, Ce3+ is bonded to six equivalent O2- atoms to form distorted face-sharing CeO6 pentagonal pyramids. All Ce–O bond lengths are 2.43 Å. In the second Ce3+ site, Ce3+ is bonded to six equivalent O2- atoms to form face-sharing CeO6 octahedra. All Ce–O bond lengths are 2.33 Å. O2- is bonded in a 6-coordinate geometry to four equivalent Ba2+ and two Ce3+ atoms.

Authors:: The Materials Project

Publication Date:: 2019-01-11

Other Number(s):: mp-1178573

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; Ba3Ce2O6; Ba-Ce-O

OSTI Identifier:: 1729183

DOI:: https://doi.org/10.17188/1729183

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                    The Materials Project. Materials Data on Ba3Ce2O6 by Materials Project.  United States: N. p., 2019. 
        Web.  doi:10.17188/1729183.

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                    The Materials Project. Materials Data on Ba3Ce2O6 by Materials Project.  United States.  doi:https://doi.org/10.17188/1729183

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                    The Materials Project. 2019.  
"Materials Data on Ba3Ce2O6 by Materials Project".  United States.  doi:https://doi.org/10.17188/1729183.  https://www.osti.gov/servlets/purl/1729183. Pub date:Fri Jan 11 00:00:00 EST 2019

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@article{osti_1729183,

  title        = {Materials Data on Ba3Ce2O6 by Materials Project},

  author       = {The Materials Project},

  abstractNote = {Ba3Ce2O6 crystallizes in the trigonal R-3c space group. The structure is three-dimensional. Ba2+ is bonded in a 8-coordinate geometry to eight equivalent O2- atoms. There are a spread of Ba–O bond distances ranging from 2.65–3.19 Å. There are two inequivalent Ce3+ sites. In the first Ce3+ site, Ce3+ is bonded to six equivalent O2- atoms to form distorted face-sharing CeO6 pentagonal pyramids. All Ce–O bond lengths are 2.43 Å. In the second Ce3+ site, Ce3+ is bonded to six equivalent O2- atoms to form face-sharing CeO6 octahedra. All Ce–O bond lengths are 2.33 Å. O2- is bonded in a 6-coordinate geometry to four equivalent Ba2+ and two Ce3+ atoms.},

  doi          = {10.17188/1729183},

  journal      = {},

  number       = ,

  volume       = ,

  place        = {United States},

  year         = {2019},

  month        = {1}

}

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DOI: https://doi.org/10.17188/1729183

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