Materials Data on U(HO2)2 by Materials Project

doi:10.17188/1278574

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

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Abstract

UO2(OH)2 crystallizes in the monoclinic P2_1/c space group. The structure is three-dimensional. U6+ is bonded to six O2- atoms to form corner-sharing UO6 octahedra. The corner-sharing octahedral tilt angles are 41°. There are a spread of U–O bond distances ranging from 2.00–2.32 Å. H1+ is bonded in a single-bond geometry to two O2- atoms. There is one shorter (1.00 Å) and one longer (1.72 Å) H–O bond length. There are two inequivalent O2- sites. In the first O2- site, O2- is bonded in a 3-coordinate geometry to two equivalent U6+ and one H1+ atom. In the second O2- site, O2- is bonded in a distorted bent 150 degrees geometry to one U6+ and one H1+ atom.

Authors:: The Materials Project

Publication Date:: 2020-07-18

Other Number(s):: mp-626169

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:: 1278574

DOI:: https://doi.org/10.17188/1278574

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                    The Materials Project. Materials Data on U(HO2)2 by Materials Project.  United States: N. p., 2020. 
        Web.  doi:10.17188/1278574.

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                    The Materials Project. Materials Data on U(HO2)2 by Materials Project.  United States.  doi:https://doi.org/10.17188/1278574

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                    The Materials Project. 2020.  
"Materials Data on U(HO2)2 by Materials Project".  United States.  doi:https://doi.org/10.17188/1278574.  https://www.osti.gov/servlets/purl/1278574. Pub date:Sat Jul 18 00:00:00 EDT 2020

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@article{osti_1278574,

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

  author       = {The Materials Project},

  abstractNote = {UO2(OH)2 crystallizes in the monoclinic P2_1/c space group. The structure is three-dimensional. U6+ is bonded to six O2- atoms to form corner-sharing UO6 octahedra. The corner-sharing octahedral tilt angles are 41°. There are a spread of U–O bond distances ranging from 2.00–2.32 Å. H1+ is bonded in a single-bond geometry to two O2- atoms. There is one shorter (1.00 Å) and one longer (1.72 Å) H–O bond length. There are two inequivalent O2- sites. In the first O2- site, O2- is bonded in a 3-coordinate geometry to two equivalent U6+ and one H1+ atom. In the second O2- site, O2- is bonded in a distorted bent 150 degrees geometry to one U6+ and one H1+ atom.},

  doi          = {10.17188/1278574},

  journal      = {},

  number       = ,

  volume       = ,

  place        = {United States},

  year         = {2020},

  month        = {7}

}

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DOI: https://doi.org/10.17188/1278574

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