Materials Data on Ce(ClO2)3 by Materials Project

doi:10.17188/1678598

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

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Abstract

Ce(O2Cl)2ClO2 crystallizes in the monoclinic P2/c space group. The structure is one-dimensional and consists of two hypochlorous acid;hydrate molecules and one Ce(O2Cl)2 ribbon oriented in the (1, 0, 0) direction. In the Ce(O2Cl)2 ribbon, Ce is bonded in a 6-coordinate geometry to six O atoms. There are a spread of Ce–O bond distances ranging from 2.13–2.63 Å. There are two inequivalent O sites. In the first O site, O is bonded in a water-like geometry to one Ce and one Cl atom. The O–Cl bond length is 1.60 Å. In the second O site, O is bonded in a water-like geometry to two equivalent Ce atoms. Cl is bonded in a single-bond geometry to one O atom.

Authors:: The Materials Project

Publication Date:: 2019-01-12

Other Number(s):: mp-1214155

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

OSTI Identifier:: 1678598

DOI:: https://doi.org/10.17188/1678598

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                    The Materials Project. Materials Data on Ce(ClO2)3 by Materials Project.  United States: N. p., 2019. 
        Web.  doi:10.17188/1678598.

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                    The Materials Project. Materials Data on Ce(ClO2)3 by Materials Project.  United States.  doi:https://doi.org/10.17188/1678598

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                    The Materials Project. 2019.  
"Materials Data on Ce(ClO2)3 by Materials Project".  United States.  doi:https://doi.org/10.17188/1678598.  https://www.osti.gov/servlets/purl/1678598. Pub date:Sat Jan 12 00:00:00 EST 2019

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@article{osti_1678598,

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

  author       = {The Materials Project},

  abstractNote = {Ce(O2Cl)2ClO2 crystallizes in the monoclinic P2/c space group. The structure is one-dimensional and consists of two hypochlorous acid;hydrate molecules and one Ce(O2Cl)2 ribbon oriented in the (1, 0, 0) direction. In the Ce(O2Cl)2 ribbon, Ce is bonded in a 6-coordinate geometry to six O atoms. There are a spread of Ce–O bond distances ranging from 2.13–2.63 Å. There are two inequivalent O sites. In the first O site, O is bonded in a water-like geometry to one Ce and one Cl atom. The O–Cl bond length is 1.60 Å. In the second O site, O is bonded in a water-like geometry to two equivalent Ce atoms. Cl is bonded in a single-bond geometry to one O atom.},

  doi          = {10.17188/1678598},

  journal      = {},

  number       = ,

  volume       = ,

  place        = {United States},

  year         = {2019},

  month        = {1}

}

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DOI: https://doi.org/10.17188/1678598

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