Materials Data on CeF3 by Materials Project

doi:10.17188/1269972

Title: Materials Data on CeF3 by Materials Project

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Abstract

CeF3 is Sodium arsenide structured and crystallizes in the hexagonal P6_3/mcm space group. The structure is three-dimensional. Ce3+ is bonded in a 5-coordinate geometry to eleven F1- atoms. There are a spread of Ce–F bond distances ranging from 2.40–2.71 Å. There are three inequivalent F1- sites. In the first F1- site, F1- is bonded in a trigonal planar geometry to three equivalent Ce3+ atoms. In the second F1- site, F1- is bonded in a trigonal planar geometry to three equivalent Ce3+ atoms. In the third F1- site, F1- is bonded in a 1-coordinate geometry to four equivalent Ce3+ atoms.

Publication Date:: 2020-07-15

Other Number(s):: mp-557720

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-F; CeF3; crystal structure

OSTI Identifier:: 1269972

DOI:: https://doi.org/10.17188/1269972

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                    Materials Data on CeF3 by Materials Project.  United States: N. p., 2020. 
        Web.  doi:10.17188/1269972.

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                    Materials Data on CeF3 by Materials Project.  United States.  doi:https://doi.org/10.17188/1269972

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                    2020.  
"Materials Data on CeF3 by Materials Project".  United States.  doi:https://doi.org/10.17188/1269972.  https://www.osti.gov/servlets/purl/1269972. Pub date:Wed Jul 15 20:00:00 EDT 2020

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@article{osti_1269972,

  title        = {Materials Data on CeF3 by Materials Project},

  
  abstractNote = {CeF3 is Sodium arsenide structured and crystallizes in the hexagonal P6_3/mcm space group. The structure is three-dimensional. Ce3+ is bonded in a 5-coordinate geometry to eleven F1- atoms. There are a spread of Ce–F bond distances ranging from 2.40–2.71 Å. There are three inequivalent F1- sites. In the first F1- site, F1- is bonded in a trigonal planar geometry to three equivalent Ce3+ atoms. In the second F1- site, F1- is bonded in a trigonal planar geometry to three equivalent Ce3+ atoms. In the third F1- site, F1- is bonded in a 1-coordinate geometry to four equivalent Ce3+ atoms.},

  doi          = {10.17188/1269972},

  journal      = {},

  number       = ,

  volume       = ,

  place        = {United States},

  year         = {2020},

  month        = {7}

}

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DOI: https://doi.org/10.17188/1269972

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Materials Data on CeF3 by Materials Project

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CeF3 crystallizes in the hexagonal P6_322 space group. The structure is three-dimensional. Ce3+ is bonded in a 12-coordinate geometry to twelve F1- atoms. There are a spread of Ce–F bond distances ranging from 2.37–2.94 Å. There are three inequivalent F1- sites. In the first F1- site, F1- is bonded in a trigonal planar geometry to three equivalent Ce3+ atoms. In the second F1- site, F1- is bonded in a 1-coordinate geometry to four equivalent Ce3+ and one F1- atom. The F–F bond length is 2.54 Å. In the third F1- site, F1- is bonded to six equivalent Ce3+ and sixmore »« less
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