Materials Data on UO4 by Materials Project

doi:10.17188/1726869

Title: Materials Data on UO4 by Materials Project

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Abstract

UO4 crystallizes in the orthorhombic Pbca space group. The structure is two-dimensional and consists of two UO4 sheets oriented in the (0, 0, 1) direction. U is bonded to six O atoms to form corner-sharing UO6 octahedra. The corner-sharing octahedral tilt angles are 35°. There are a spread of U–O bond distances ranging from 1.83–2.13 Å. There are two inequivalent O sites. In the first O site, O is bonded in a single-bond geometry to one U atom. In the second O site, O is bonded in a bent 150 degrees geometry to two equivalent U atoms.

Authors:: The Materials Project

Publication Date:: 2019-09-05

Other Number(s):: mp-1178859

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; UO4; O-U

OSTI Identifier:: 1726869

DOI:: https://doi.org/10.17188/1726869

Citation Formats


                    The Materials Project. Materials Data on UO4 by Materials Project.  United States: N. p., 2019. 
        Web.  doi:10.17188/1726869.

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                    The Materials Project. Materials Data on UO4 by Materials Project.  United States.  doi:https://doi.org/10.17188/1726869

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                    The Materials Project. 2019.  
"Materials Data on UO4 by Materials Project".  United States.  doi:https://doi.org/10.17188/1726869.  https://www.osti.gov/servlets/purl/1726869. Pub date:Thu Sep 05 00:00:00 EDT 2019

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@article{osti_1726869,

  title        = {Materials Data on UO4 by Materials Project},

  author       = {The Materials Project},

  abstractNote = {UO4 crystallizes in the orthorhombic Pbca space group. The structure is two-dimensional and consists of two UO4 sheets oriented in the (0, 0, 1) direction. U is bonded to six O atoms to form corner-sharing UO6 octahedra. The corner-sharing octahedral tilt angles are 35°. There are a spread of U–O bond distances ranging from 1.83–2.13 Å. There are two inequivalent O sites. In the first O site, O is bonded in a single-bond geometry to one U atom. In the second O site, O is bonded in a bent 150 degrees geometry to two equivalent U atoms.},

  doi          = {10.17188/1726869},

  journal      = {},

  number       = ,

  volume       = ,

  place        = {United States},

  year         = {2019},

  month        = {9}

}

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DOI: https://doi.org/10.17188/1726869

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