Materials Data on CaCeV2O8 by Materials Project

doi:10.17188/1685790

Title: Materials Data on CaCeV2O8 by Materials Project

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Abstract

CaCeV2O8 is Zircon-derived structured and crystallizes in the tetragonal I-4m2 space group. The structure is three-dimensional. Ca2+ is bonded in a 8-coordinate geometry to eight O2- atoms. There are four shorter (2.39 Å) and four longer (2.54 Å) Ca–O bond lengths. Ce4+ is bonded in a 8-coordinate geometry to eight O2- atoms. There are four shorter (2.34 Å) and four longer (2.44 Å) Ce–O bond lengths. There are two inequivalent V5+ sites. In the first V5+ site, V5+ is bonded in a tetrahedral geometry to four equivalent O2- atoms. All V–O bond lengths are 1.74 Å. In the second V5+ site, V5+ is bonded in a tetrahedral geometry to four equivalent O2- atoms. All V–O bond lengths are 1.74 Å. There are two inequivalent O2- sites. In the first O2- site, O2- is bonded in a 1-coordinate geometry to one Ca2+, one Ce4+, and one V5+ atom. In the second O2- site, O2- is bonded in a 1-coordinate geometry to one Ca2+, one Ce4+, and one V5+ atom.

Authors:: The Materials Project

Publication Date:: Sun May 03 00:00:00 EDT 2020

Other Number(s):: mp-1227255

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; CaCeV2O8; Ca-Ce-O-V

OSTI Identifier:: 1685790

DOI:: https://doi.org/10.17188/1685790

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                    The Materials Project. Materials Data on CaCeV2O8 by Materials Project.  United States: N. p., 2020. 
        Web.  doi:10.17188/1685790.

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                    The Materials Project. Materials Data on CaCeV2O8 by Materials Project.  United States.  doi:https://doi.org/10.17188/1685790

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                    The Materials Project. 2020.  
"Materials Data on CaCeV2O8 by Materials Project".  United States.  doi:https://doi.org/10.17188/1685790.  https://www.osti.gov/servlets/purl/1685790. Pub date:Sun May 03 00:00:00 EDT 2020

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@article{osti_1685790,

  title        = {Materials Data on CaCeV2O8 by Materials Project},

  author       = {The Materials Project},

  abstractNote = {CaCeV2O8 is Zircon-derived structured and crystallizes in the tetragonal I-4m2 space group. The structure is three-dimensional. Ca2+ is bonded in a 8-coordinate geometry to eight O2- atoms. There are four shorter (2.39 Å) and four longer (2.54 Å) Ca–O bond lengths. Ce4+ is bonded in a 8-coordinate geometry to eight O2- atoms. There are four shorter (2.34 Å) and four longer (2.44 Å) Ce–O bond lengths. There are two inequivalent V5+ sites. In the first V5+ site, V5+ is bonded in a tetrahedral geometry to four equivalent O2- atoms. All V–O bond lengths are 1.74 Å. In the second V5+ site, V5+ is bonded in a tetrahedral geometry to four equivalent O2- atoms. All V–O bond lengths are 1.74 Å. There are two inequivalent O2- sites. In the first O2- site, O2- is bonded in a 1-coordinate geometry to one Ca2+, one Ce4+, and one V5+ atom. In the second O2- site, O2- is bonded in a 1-coordinate geometry to one Ca2+, one Ce4+, and one V5+ atom.},

  doi          = {10.17188/1685790},

  journal      = {},

  number       = ,

  volume       = ,

  place        = {United States},

  year         = {Sun May 03 00:00:00 EDT 2020},

  month        = {Sun May 03 00:00:00 EDT 2020}

}

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DOI: https://doi.org/10.17188/1685790

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