Materials Data on CePO4 by Materials Project

doi:10.17188/1269927

Title: Materials Data on CePO4 by Materials Project

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Abstract

CePO4 is Zircon-like structured and crystallizes in the hexagonal P6_422 space group. The structure is three-dimensional. Ce3+ is bonded to eight equivalent O2- atoms to form distorted CeO8 hexagonal bipyramids that share corners with four equivalent PO4 tetrahedra, edges with four equivalent CeO8 hexagonal bipyramids, and edges with two equivalent PO4 tetrahedra. There are four shorter (2.44 Å) and four longer (2.60 Å) Ce–O bond lengths. P5+ is bonded to four equivalent O2- atoms to form PO4 tetrahedra that share corners with four equivalent CeO8 hexagonal bipyramids and edges with two equivalent CeO8 hexagonal bipyramids. All P–O bond lengths are 1.55 Å. O2- is bonded in a 1-coordinate geometry to two equivalent Ce3+ and one P5+ atom.

Publication Date:: 2020-07-17

Other Number(s):: mp-557624

DOE Contract Number:: AC02-05CH11231

Research Org.:: LBNL Materials Project; Lawrence Berkeley National Laboratory (LBNL), Berkeley, CA (United States)

Sponsoring Org.:: USDOE Office of Science (SC), Basic Energy Sciences (BES) (SC-22)

Collaborations:: The Materials Project; MIT; UC Berkeley; Duke; U Louvain

Subject:: 36 MATERIALS SCIENCE; Ce-O-P; CePO4; crystal structure

OSTI Identifier:: 1269927

DOI:: https://doi.org/10.17188/1269927

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                    Materials Data on CePO4 by Materials Project.  United States: N. p., 2020. 
        Web.  doi:10.17188/1269927.

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                    Materials Data on CePO4 by Materials Project.  United States.  doi:https://doi.org/10.17188/1269927

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                    2020.  
"Materials Data on CePO4 by Materials Project".  United States.  doi:https://doi.org/10.17188/1269927.  https://www.osti.gov/servlets/purl/1269927. Pub date:Fri Jul 17 04:00:00 UTC 2020

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@article{osti_1269927,

  title        = {Materials Data on CePO4 by Materials Project},

  
  abstractNote = {CePO4 is Zircon-like structured and crystallizes in the hexagonal P6_422 space group. The structure is three-dimensional. Ce3+ is bonded to eight equivalent O2- atoms to form distorted CeO8 hexagonal bipyramids that share corners with four equivalent PO4 tetrahedra, edges with four equivalent CeO8 hexagonal bipyramids, and edges with two equivalent PO4 tetrahedra. There are four shorter (2.44 Å) and four longer (2.60 Å) Ce–O bond lengths. P5+ is bonded to four equivalent O2- atoms to form PO4 tetrahedra that share corners with four equivalent CeO8 hexagonal bipyramids and edges with two equivalent CeO8 hexagonal bipyramids. All P–O bond lengths are 1.55 Å. O2- is bonded in a 1-coordinate geometry to two equivalent Ce3+ and one P5+ atom.},

  doi          = {10.17188/1269927},

  journal      = {},

  number       = ,

  volume       = ,

  place        = {United States},

  year         = {2020},

  month        = {7}

}

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DOI: https://doi.org/10.17188/1269927

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