Materials Data on Ce2ThO6 by Materials Project

doi:10.17188/1739052

Title: Materials Data on Ce2ThO6 by Materials Project

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Abstract

ThCe2O6 is Fluorite-derived structured and crystallizes in the orthorhombic Immm space group. The structure is three-dimensional. Th4+ is bonded in a body-centered cubic geometry to eight O2- atoms. All Th–O bond lengths are 2.41 Å. Ce4+ is bonded in a body-centered cubic geometry to eight O2- atoms. There are two shorter (2.37 Å) and six longer (2.39 Å) Ce–O bond lengths. There are two inequivalent O2- sites. In the first O2- site, O2- is bonded to two equivalent Th4+ and two equivalent Ce4+ atoms to form a mixture of edge and corner-sharing OCe2Th2 tetrahedra. In the second O2- site, O2- is bonded to one Th4+ and three equivalent Ce4+ atoms to form a mixture of edge and corner-sharing OCe3Th tetrahedra.

Authors:: The Materials Project

Publication Date:: 2020-05-03

Other Number(s):: mp-1226807

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; Ce2ThO6; Ce-O-Th

OSTI Identifier:: 1739052

DOI:: https://doi.org/10.17188/1739052

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                    The Materials Project. Materials Data on Ce2ThO6 by Materials Project.  United States: N. p., 2020. 
        Web.  doi:10.17188/1739052.

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                    The Materials Project. Materials Data on Ce2ThO6 by Materials Project.  United States.  doi:https://doi.org/10.17188/1739052

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                    The Materials Project. 2020.  
"Materials Data on Ce2ThO6 by Materials Project".  United States.  doi:https://doi.org/10.17188/1739052.  https://www.osti.gov/servlets/purl/1739052. Pub date:Sun May 03 00:00:00 EDT 2020

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@article{osti_1739052,

  title        = {Materials Data on Ce2ThO6 by Materials Project},

  author       = {The Materials Project},

  abstractNote = {ThCe2O6 is Fluorite-derived structured and crystallizes in the orthorhombic Immm space group. The structure is three-dimensional. Th4+ is bonded in a body-centered cubic geometry to eight O2- atoms. All Th–O bond lengths are 2.41 Å. Ce4+ is bonded in a body-centered cubic geometry to eight O2- atoms. There are two shorter (2.37 Å) and six longer (2.39 Å) Ce–O bond lengths. There are two inequivalent O2- sites. In the first O2- site, O2- is bonded to two equivalent Th4+ and two equivalent Ce4+ atoms to form a mixture of edge and corner-sharing OCe2Th2 tetrahedra. In the second O2- site, O2- is bonded to one Th4+ and three equivalent Ce4+ atoms to form a mixture of edge and corner-sharing OCe3Th tetrahedra.},

  doi          = {10.17188/1739052},

  journal      = {},

  number       = ,

  volume       = ,

  place        = {United States},

  year         = {2020},

  month        = {5}

}

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DOI: https://doi.org/10.17188/1739052

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