Materials Data on CeHfO4 by Materials Project

doi:10.17188/1288721

Title: Materials Data on CeHfO4 by Materials Project

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Abstract

CeHfO4 crystallizes in the monoclinic C2/c space group. The structure is three-dimensional. Ce4+ is bonded in a distorted body-centered cubic geometry to eight O2- atoms. There are a spread of Ce–O bond distances ranging from 2.29–2.52 Å. Hf4+ is bonded to six O2- atoms to form distorted edge-sharing HfO6 octahedra. There are a spread of Hf–O bond distances ranging from 2.03–2.23 Å. There are two inequivalent O2- sites. In the first O2- site, O2- is bonded in a distorted trigonal non-coplanar geometry to two equivalent Ce4+ and one Hf4+ atom. In the second O2- site, O2- is bonded to two equivalent Ce4+ and two equivalent Hf4+ atoms to form a mixture of distorted edge and corner-sharing OCe2Hf2 tetrahedra.

Authors:: The Materials Project

Publication Date:: 2020-07-22

Other Number(s):: mp-752669

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; CeHfO4; Ce-Hf-O

OSTI Identifier:: 1288721

DOI:: https://doi.org/10.17188/1288721

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                    The Materials Project. Materials Data on CeHfO4 by Materials Project.  United States: N. p., 2020. 
        Web.  doi:10.17188/1288721.

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                    The Materials Project. Materials Data on CeHfO4 by Materials Project.  United States.  doi:https://doi.org/10.17188/1288721

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                    The Materials Project. 2020.  
"Materials Data on CeHfO4 by Materials Project".  United States.  doi:https://doi.org/10.17188/1288721.  https://www.osti.gov/servlets/purl/1288721. Pub date:Wed Jul 22 00:00:00 EDT 2020

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@article{osti_1288721,

  title        = {Materials Data on CeHfO4 by Materials Project},

  author       = {The Materials Project},

  abstractNote = {CeHfO4 crystallizes in the monoclinic C2/c space group. The structure is three-dimensional. Ce4+ is bonded in a distorted body-centered cubic geometry to eight O2- atoms. There are a spread of Ce–O bond distances ranging from 2.29–2.52 Å. Hf4+ is bonded to six O2- atoms to form distorted edge-sharing HfO6 octahedra. There are a spread of Hf–O bond distances ranging from 2.03–2.23 Å. There are two inequivalent O2- sites. In the first O2- site, O2- is bonded in a distorted trigonal non-coplanar geometry to two equivalent Ce4+ and one Hf4+ atom. In the second O2- site, O2- is bonded to two equivalent Ce4+ and two equivalent Hf4+ atoms to form a mixture of distorted edge and corner-sharing OCe2Hf2 tetrahedra.},

  doi          = {10.17188/1288721},

  journal      = {},

  number       = ,

  volume       = ,

  place        = {United States},

  year         = {2020},

  month        = {7}

}

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DOI: https://doi.org/10.17188/1288721

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