Materials Data on UH2Cl2O3 by Materials Project

doi:10.17188/1663628

Title: Materials Data on UH2Cl2O3 by Materials Project

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Abstract

UO2Cl2H2O crystallizes in the monoclinic P2_1/m space group. The structure is one-dimensional and consists of two water molecules and one UO2Cl2 ribbon oriented in the (0, 1, 0) direction. In the UO2Cl2 ribbon, U6+ is bonded in a distorted linear geometry to two O2- and four equivalent Cl1- atoms. Both U–O bond lengths are 1.78 Å. All U–Cl bond lengths are 2.80 Å. There are two inequivalent O2- sites. In the first O2- site, O2- is bonded in a single-bond geometry to one U6+ atom. In the second O2- site, O2- is bonded in a single-bond geometry to one U6+ atom. Cl1- is bonded in a water-like geometry to two equivalent U6+ atoms.

Authors:: The Materials Project

Publication Date:: 2019-01-12

Other Number(s):: mp-1217058

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; UH2Cl2O3; Cl-H-O-U

OSTI Identifier:: 1663628

DOI:: https://doi.org/10.17188/1663628

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                    The Materials Project. Materials Data on UH2Cl2O3 by Materials Project.  United States: N. p., 2019. 
        Web.  doi:10.17188/1663628.

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                    The Materials Project. Materials Data on UH2Cl2O3 by Materials Project.  United States.  doi:https://doi.org/10.17188/1663628

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                    The Materials Project. 2019.  
"Materials Data on UH2Cl2O3 by Materials Project".  United States.  doi:https://doi.org/10.17188/1663628.  https://www.osti.gov/servlets/purl/1663628. Pub date:Sat Jan 12 00:00:00 EST 2019

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@article{osti_1663628,

  title        = {Materials Data on UH2Cl2O3 by Materials Project},

  author       = {The Materials Project},

  abstractNote = {UO2Cl2H2O crystallizes in the monoclinic P2_1/m space group. The structure is one-dimensional and consists of two water molecules and one UO2Cl2 ribbon oriented in the (0, 1, 0) direction. In the UO2Cl2 ribbon, U6+ is bonded in a distorted linear geometry to two O2- and four equivalent Cl1- atoms. Both U–O bond lengths are 1.78 Å. All U–Cl bond lengths are 2.80 Å. There are two inequivalent O2- sites. In the first O2- site, O2- is bonded in a single-bond geometry to one U6+ atom. In the second O2- site, O2- is bonded in a single-bond geometry to one U6+ atom. Cl1- is bonded in a water-like geometry to two equivalent U6+ atoms.},

  doi          = {10.17188/1663628},

  journal      = {},

  number       = ,

  volume       = ,

  place        = {United States},

  year         = {2019},

  month        = {1}

}

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DOI: https://doi.org/10.17188/1663628

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