Materials Data on UOF4 by Materials Project

doi:10.17188/1192283

Title: Materials Data on UOF4 by Materials Project

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Abstract

UOF4 crystallizes in the tetragonal I-42d space group. The structure is three-dimensional. U6+ is bonded to one O2- and six F1- atoms to form distorted corner-sharing UOF6 pentagonal bipyramids. The U–O bond length is 1.82 Å. There are a spread of U–F bond distances ranging from 2.03–2.51 Å. O2- is bonded in a single-bond geometry to one U6+ atom. There are two inequivalent F1- sites. In the first F1- site, F1- is bonded in a 1-coordinate geometry to two equivalent U6+ atoms. In the second F1- site, F1- is bonded in a single-bond geometry to one U6+ atom.

Authors:: The Materials Project

Publication Date:: Tue Jul 14 00:00:00 EDT 2020

Other Number(s):: mp-17004

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; UOF4; F-O-U

OSTI Identifier:: 1192283

DOI:: https://doi.org/10.17188/1192283

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                    The Materials Project. Materials Data on UOF4 by Materials Project.  United States: N. p., 2020. 
        Web.  doi:10.17188/1192283.

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                    The Materials Project. Materials Data on UOF4 by Materials Project.  United States.  doi:https://doi.org/10.17188/1192283

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                    The Materials Project. 2020.  
"Materials Data on UOF4 by Materials Project".  United States.  doi:https://doi.org/10.17188/1192283.  https://www.osti.gov/servlets/purl/1192283. Pub date:Tue Jul 14 00:00:00 EDT 2020

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@article{osti_1192283,

  title        = {Materials Data on UOF4 by Materials Project},

  author       = {The Materials Project},

  abstractNote = {UOF4 crystallizes in the tetragonal I-42d space group. The structure is three-dimensional. U6+ is bonded to one O2- and six F1- atoms to form distorted corner-sharing UOF6 pentagonal bipyramids. The U–O bond length is 1.82 Å. There are a spread of U–F bond distances ranging from 2.03–2.51 Å. O2- is bonded in a single-bond geometry to one U6+ atom. There are two inequivalent F1- sites. In the first F1- site, F1- is bonded in a 1-coordinate geometry to two equivalent U6+ atoms. In the second F1- site, F1- is bonded in a single-bond geometry to one U6+ atom.},

  doi          = {10.17188/1192283},

  journal      = {},

  number       = ,

  volume       = ,

  place        = {United States},

  year         = {Tue Jul 14 00:00:00 EDT 2020},

  month        = {Tue Jul 14 00:00:00 EDT 2020}

}

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DOI: https://doi.org/10.17188/1192283

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