Materials Data on U(HO2)2 by Materials Project

doi:10.17188/1262841

Title: Materials Data on U(HO2)2 by Materials Project

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Abstract

UO2(OH)2 crystallizes in the orthorhombic Pbca space group. The structure is two-dimensional and consists of two UO2(OH)2 sheets oriented in the (0, 0, 1) direction. U6+ is bonded to six O2- atoms to form corner-sharing UO6 octahedra. The corner-sharing octahedral tilt angles are 45°. There are a spread of U–O bond distances ranging from 1.83–2.34 Å. H1+ is bonded in a single-bond geometry to one O2- atom. The H–O bond length is 1.00 Å. There are two inequivalent O2- sites. In the first O2- site, O2- is bonded in a distorted single-bond geometry to two equivalent U6+ and one H1+ atom. In the second O2- site, O2- is bonded in a single-bond geometry to one U6+ atom.

Authors:: The Materials Project

Publication Date:: Fri Jul 24 00:00:00 EDT 2020

Other Number(s):: mp-510128

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; U(HO2)2; H-O-U

OSTI Identifier:: 1262841

DOI:: https://doi.org/10.17188/1262841

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                    The Materials Project. Materials Data on U(HO2)2 by Materials Project.  United States: N. p., 2020. 
        Web.  doi:10.17188/1262841.

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                    The Materials Project. Materials Data on U(HO2)2 by Materials Project.  United States.  doi:https://doi.org/10.17188/1262841

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                    The Materials Project. 2020.  
"Materials Data on U(HO2)2 by Materials Project".  United States.  doi:https://doi.org/10.17188/1262841.  https://www.osti.gov/servlets/purl/1262841. Pub date:Fri Jul 24 00:00:00 EDT 2020

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@article{osti_1262841,

  title        = {Materials Data on U(HO2)2 by Materials Project},

  author       = {The Materials Project},

  abstractNote = {UO2(OH)2 crystallizes in the orthorhombic Pbca space group. The structure is two-dimensional and consists of two UO2(OH)2 sheets oriented in the (0, 0, 1) direction. U6+ is bonded to six O2- atoms to form corner-sharing UO6 octahedra. The corner-sharing octahedral tilt angles are 45°. There are a spread of U–O bond distances ranging from 1.83–2.34 Å. H1+ is bonded in a single-bond geometry to one O2- atom. The H–O bond length is 1.00 Å. There are two inequivalent O2- sites. In the first O2- site, O2- is bonded in a distorted single-bond geometry to two equivalent U6+ and one H1+ atom. In the second O2- site, O2- is bonded in a single-bond geometry to one U6+ atom.},

  doi          = {10.17188/1262841},

  journal      = {},

  number       = ,

  volume       = ,

  place        = {United States},

  year         = {Fri Jul 24 00:00:00 EDT 2020},

  month        = {Fri Jul 24 00:00:00 EDT 2020}

}

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DOI: https://doi.org/10.17188/1262841

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Materials Data on U(HO2)2 by Materials Project

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