Materials Data on CeBr3O7 by Materials Project

doi:10.17188/1684096

Title: Materials Data on CeBr3O7 by Materials Project

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Abstract

(Ce(O2Br)3)2O2 crystallizes in the triclinic P-1 space group. The structure is one-dimensional and consists of one hydrogen peroxide molecule and one Ce(O2Br)3 ribbon oriented in the (1, 0, 0) direction. In the Ce(O2Br)3 ribbon, Ce is bonded in a 6-coordinate geometry to six O atoms. There are a spread of Ce–O bond distances ranging from 1.99–2.47 Å. There are six inequivalent O sites. In the first O site, O is bonded in a distorted bent 150 degrees geometry to one Ce and one Br atom. The O–Br bond length is 2.13 Å. In the second O site, O is bonded in a distorted bent 150 degrees geometry to one Ce and one Br atom. The O–Br bond length is 1.86 Å. In the third O site, O is bonded in a bent 120 degrees geometry to one Ce and one Br atom. The O–Br bond length is 1.74 Å. In the fourth O site, O is bonded in a distorted bent 120 degrees geometry to one Ce and one Br atom. The O–Br bond length is 1.76 Å. In the fifth O site, O is bonded in a bent 150 degrees geometry to one Ce and one Br atom. Themore »« less

Authors:: The Materials Project

Publication Date:: Fri Jan 11 00:00:00 EST 2019

Other Number(s):: mp-1191892

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; CeBr3O7; Br-Ce-O

OSTI Identifier:: 1684096

DOI:: https://doi.org/10.17188/1684096

Citation Formats


                    The Materials Project. Materials Data on CeBr3O7 by Materials Project.  United States: N. p., 2019. 
        Web.  doi:10.17188/1684096.

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                    The Materials Project. Materials Data on CeBr3O7 by Materials Project.  United States.  doi:https://doi.org/10.17188/1684096

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                    The Materials Project. 2019.  
"Materials Data on CeBr3O7 by Materials Project".  United States.  doi:https://doi.org/10.17188/1684096.  https://www.osti.gov/servlets/purl/1684096. Pub date:Fri Jan 11 00:00:00 EST 2019

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@article{osti_1684096,

  title        = {Materials Data on CeBr3O7 by Materials Project},

  author       = {The Materials Project},

  abstractNote = {(Ce(O2Br)3)2O2 crystallizes in the triclinic P-1 space group. The structure is one-dimensional and consists of one hydrogen peroxide molecule and one Ce(O2Br)3 ribbon oriented in the (1, 0, 0) direction. In the Ce(O2Br)3 ribbon, Ce is bonded in a 6-coordinate geometry to six O atoms. There are a spread of Ce–O bond distances ranging from 1.99–2.47 Å. There are six inequivalent O sites. In the first O site, O is bonded in a distorted bent 150 degrees geometry to one Ce and one Br atom. The O–Br bond length is 2.13 Å. In the second O site, O is bonded in a distorted bent 150 degrees geometry to one Ce and one Br atom. The O–Br bond length is 1.86 Å. In the third O site, O is bonded in a bent 120 degrees geometry to one Ce and one Br atom. The O–Br bond length is 1.74 Å. In the fourth O site, O is bonded in a distorted bent 120 degrees geometry to one Ce and one Br atom. The O–Br bond length is 1.76 Å. In the fifth O site, O is bonded in a bent 150 degrees geometry to one Ce and one Br atom. The O–Br bond length is 1.75 Å. In the sixth O site, O is bonded in a bent 120 degrees geometry to one Ce and one Br atom. The O–Br bond length is 1.74 Å. There are three inequivalent Br sites. In the first Br site, Br is bonded in a distorted water-like geometry to two O atoms. In the second Br site, Br is bonded in a distorted linear geometry to two O atoms. In the third Br site, Br is bonded in a water-like geometry to two O atoms.},

  doi          = {10.17188/1684096},

  journal      = {},

  number       = ,

  volume       = ,

  place        = {United States},

  year         = {Fri Jan 11 00:00:00 EST 2019},

  month        = {Fri Jan 11 00:00:00 EST 2019}

}

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DOI: https://doi.org/10.17188/1684096

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