Materials Data on Ce3W(ClO2)3 by Materials Project

doi:10.17188/1740345

Title: Materials Data on Ce3W(ClO2)3 by Materials Project

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Abstract

Ce3W(O2Cl)3 crystallizes in the hexagonal P6_3/m space group. The structure is three-dimensional. Ce3+ is bonded in a 10-coordinate geometry to six equivalent O2- and four equivalent Cl1- atoms. There are a spread of Ce–O bond distances ranging from 2.35–2.63 Å. There are a spread of Ce–Cl bond distances ranging from 3.00–3.07 Å. W6+ is bonded in a distorted pentagonal pyramidal geometry to six equivalent O2- atoms. All W–O bond lengths are 2.01 Å. O2- is bonded to three equivalent Ce3+ and one W6+ atom to form a mixture of distorted edge and corner-sharing OCe3W tetrahedra. Cl1- is bonded in a 4-coordinate geometry to four equivalent Ce3+ atoms.

Authors:: The Materials Project

Publication Date:: 2020-05-02

Other Number(s):: mp-1213830

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; Ce3W(ClO2)3; Ce-Cl-O-W

OSTI Identifier:: 1740345

DOI:: https://doi.org/10.17188/1740345

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                    The Materials Project. Materials Data on Ce3W(ClO2)3 by Materials Project.  United States: N. p., 2020. 
        Web.  doi:10.17188/1740345.

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                    The Materials Project. Materials Data on Ce3W(ClO2)3 by Materials Project.  United States.  doi:https://doi.org/10.17188/1740345

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                    The Materials Project. 2020.  
"Materials Data on Ce3W(ClO2)3 by Materials Project".  United States.  doi:https://doi.org/10.17188/1740345.  https://www.osti.gov/servlets/purl/1740345. Pub date:Sat May 02 00:00:00 EDT 2020

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@article{osti_1740345,

  title        = {Materials Data on Ce3W(ClO2)3 by Materials Project},

  author       = {The Materials Project},

  abstractNote = {Ce3W(O2Cl)3 crystallizes in the hexagonal P6_3/m space group. The structure is three-dimensional. Ce3+ is bonded in a 10-coordinate geometry to six equivalent O2- and four equivalent Cl1- atoms. There are a spread of Ce–O bond distances ranging from 2.35–2.63 Å. There are a spread of Ce–Cl bond distances ranging from 3.00–3.07 Å. W6+ is bonded in a distorted pentagonal pyramidal geometry to six equivalent O2- atoms. All W–O bond lengths are 2.01 Å. O2- is bonded to three equivalent Ce3+ and one W6+ atom to form a mixture of distorted edge and corner-sharing OCe3W tetrahedra. Cl1- is bonded in a 4-coordinate geometry to four equivalent Ce3+ atoms.},

  doi          = {10.17188/1740345},

  journal      = {},

  number       = ,

  volume       = ,

  place        = {United States},

  year         = {2020},

  month        = {5}

}

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DOI: https://doi.org/10.17188/1740345

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