Materials Data on CaUO4 by Materials Project

doi:10.17188/1740352

Title: Materials Data on CaUO4 by Materials Project

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Abstract

CaUO4 is alpha bismuth trifluoride-derived structured and crystallizes in the tetragonal P4/mmm space group. The structure is three-dimensional. Ca2+ is bonded in a body-centered cubic geometry to eight equivalent O2- atoms. All Ca–O bond lengths are 2.40 Å. U6+ is bonded in a body-centered cubic geometry to eight equivalent O2- atoms. All U–O bond lengths are 2.23 Å. O2- is bonded to two equivalent Ca2+ and two equivalent U6+ atoms to form a mixture of corner and edge-sharing OCa2U2 tetrahedra.

Authors:: The Materials Project

Publication Date:: 2020-05-02

Other Number(s):: mp-1227039

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; CaUO4; Ca-O-U

OSTI Identifier:: 1740352

DOI:: https://doi.org/10.17188/1740352

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                    The Materials Project. Materials Data on CaUO4 by Materials Project.  United States: N. p., 2020. 
        Web.  doi:10.17188/1740352.

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                    The Materials Project. Materials Data on CaUO4 by Materials Project.  United States.  doi:https://doi.org/10.17188/1740352

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                    The Materials Project. 2020.  
"Materials Data on CaUO4 by Materials Project".  United States.  doi:https://doi.org/10.17188/1740352.  https://www.osti.gov/servlets/purl/1740352. Pub date:Sat May 02 00:00:00 EDT 2020

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@article{osti_1740352,

  title        = {Materials Data on CaUO4 by Materials Project},

  author       = {The Materials Project},

  abstractNote = {CaUO4 is alpha bismuth trifluoride-derived structured and crystallizes in the tetragonal P4/mmm space group. The structure is three-dimensional. Ca2+ is bonded in a body-centered cubic geometry to eight equivalent O2- atoms. All Ca–O bond lengths are 2.40 Å. U6+ is bonded in a body-centered cubic geometry to eight equivalent O2- atoms. All U–O bond lengths are 2.23 Å. O2- is bonded to two equivalent Ca2+ and two equivalent U6+ atoms to form a mixture of corner and edge-sharing OCa2U2 tetrahedra.},

  doi          = {10.17188/1740352},

  journal      = {},

  number       = ,

  volume       = ,

  place        = {United States},

  year         = {2020},

  month        = {5}

}

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DOI: https://doi.org/10.17188/1740352

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