Materials Data on UO4 by Materials Project

doi:10.17188/1696046

Title: Materials Data on UO4 by Materials Project

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Abstract

UO4 crystallizes in the monoclinic P2_1/c space group. The structure is two-dimensional and consists of one UO4 sheet oriented in the (1, 0, 0) direction. U is bonded to six O atoms to form corner-sharing UO6 octahedra. The corner-sharing octahedral tilt angles are 36°. There are a spread of U–O bond distances ranging from 1.84–2.13 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:: 2019-11-05

Other Number(s):: mp-1178838

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:: 1696046

DOI:: https://doi.org/10.17188/1696046

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                    The Materials Project. Materials Data on UO4 by Materials Project.  United States: N. p., 2019. 
        Web.  doi:10.17188/1696046.

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                    The Materials Project. Materials Data on UO4 by Materials Project.  United States.  doi:https://doi.org/10.17188/1696046

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                    The Materials Project. 2019.  
"Materials Data on UO4 by Materials Project".  United States.  doi:https://doi.org/10.17188/1696046.  https://www.osti.gov/servlets/purl/1696046. Pub date:Tue Nov 05 00:00:00 EST 2019

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@article{osti_1696046,

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

  author       = {The Materials Project},

  abstractNote = {UO4 crystallizes in the monoclinic P2_1/c space group. The structure is two-dimensional and consists of one UO4 sheet oriented in the (1, 0, 0) direction. U is bonded to six O atoms to form corner-sharing UO6 octahedra. The corner-sharing octahedral tilt angles are 36°. There are a spread of U–O bond distances ranging from 1.84–2.13 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          = {10.17188/1696046},

  journal      = {},

  number       = ,

  volume       = ,

  place        = {United States},

  year         = {2019},

  month        = {11}

}

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DOI: https://doi.org/10.17188/1696046

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