Materials Data on UF5 by Materials Project

doi:10.17188/1193152

Title: Materials Data on UF5 by Materials Project

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Abstract

UF5 crystallizes in the tetragonal I4/m space group. The structure is one-dimensional and consists of two UF5 ribbons oriented in the (0, 0, 1) direction. U5+ is bonded to six F1- atoms to form corner-sharing UF6 octahedra. The corner-sharing octahedral tilt angles are 0°. There are four shorter (2.03 Å) and two longer (2.27 Å) U–F bond lengths. There are two inequivalent F1- sites. In the first F1- site, F1- is bonded in a single-bond geometry to one U5+ atom. In the second F1- site, F1- is bonded in a linear geometry to two equivalent U5+ atoms.

Publication Date:: 2020-07-16

Other Number(s):: mp-1852

DOE Contract Number:: AC02-05CH11231

Research Org.:: LBNL Materials Project; Lawrence Berkeley National Laboratory (LBNL), Berkeley, CA (United States)

Sponsoring Org.:: USDOE Office of Science (SC), Basic Energy Sciences (BES) (SC-22)

Collaborations:: The Materials Project; MIT; UC Berkeley; Duke; U Louvain

Subject:: 36 MATERIALS SCIENCE; F-U; UF5; crystal structure

OSTI Identifier:: 1193152

DOI:: https://doi.org/10.17188/1193152

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                    Materials Data on UF5 by Materials Project.  United States: N. p., 2020. 
        Web.  doi:10.17188/1193152.

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                    Materials Data on UF5 by Materials Project.  United States.  doi:https://doi.org/10.17188/1193152

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                    2020.  
"Materials Data on UF5 by Materials Project".  United States.  doi:https://doi.org/10.17188/1193152.  https://www.osti.gov/servlets/purl/1193152. Pub date:Thu Jul 16 00:00:00 EDT 2020

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@article{osti_1193152,

  title        = {Materials Data on UF5 by Materials Project},

  
  abstractNote = {UF5 crystallizes in the tetragonal I4/m space group. The structure is one-dimensional and consists of two UF5 ribbons oriented in the (0, 0, 1) direction. U5+ is bonded to six F1- atoms to form corner-sharing UF6 octahedra. The corner-sharing octahedral tilt angles are 0°. There are four shorter (2.03 Å) and two longer (2.27 Å) U–F bond lengths. There are two inequivalent F1- sites. In the first F1- site, F1- is bonded in a single-bond geometry to one U5+ atom. In the second F1- site, F1- is bonded in a linear geometry to two equivalent U5+ atoms.},

  doi          = {10.17188/1193152},

  journal      = {},

  number       = ,

  volume       = ,

  place        = {United States},

  year         = {2020},

  month        = {7}

}

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DOI: https://doi.org/10.17188/1193152

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