Materials Data on U by Materials Project

doi:10.17188/1313120

Title: Materials Data on U by Materials Project

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Abstract

U is beta Uranium structured and crystallizes in the tetragonal P4_2/mnm space group. The structure is three-dimensional. there are five inequivalent U sites. In the first U site, U is bonded to twelve U atoms to form a mixture of corner, edge, and face-sharing UU12 cuboctahedra. There are a spread of U–U bond distances ranging from 2.83–3.27 Å. In the second U site, U is bonded in a 2-coordinate geometry to eight U atoms. There are two shorter (2.70 Å) and four longer (3.31 Å) U–U bond lengths. In the third U site, U is bonded in a 2-coordinate geometry to fourteen U atoms. There are a spread of U–U bond distances ranging from 2.81–3.55 Å. In the fourth U site, U is bonded to twelve U atoms to form a mixture of distorted corner, edge, and face-sharing UU12 cuboctahedra. There are a spread of U–U bond distances ranging from 3.04–3.10 Å. In the fifth U site, U is bonded in a 1-coordinate geometry to ten U atoms. The U–U bond length is 2.55 Å.

Authors:: The Materials Project

Publication Date:: Mon Jul 20 00:00:00 EDT 2020

Other Number(s):: mp-93

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; U

OSTI Identifier:: 1313120

DOI:: https://doi.org/10.17188/1313120

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                    The Materials Project. Materials Data on U by Materials Project.  United States: N. p., 2020. 
        Web.  doi:10.17188/1313120.

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                    The Materials Project. Materials Data on U by Materials Project.  United States.  doi:https://doi.org/10.17188/1313120

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                    The Materials Project. 2020.  
"Materials Data on U by Materials Project".  United States.  doi:https://doi.org/10.17188/1313120.  https://www.osti.gov/servlets/purl/1313120. Pub date:Mon Jul 20 00:00:00 EDT 2020

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@article{osti_1313120,

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

  author       = {The Materials Project},

  abstractNote = {U is beta Uranium structured and crystallizes in the tetragonal P4_2/mnm space group. The structure is three-dimensional. there are five inequivalent U sites. In the first U site, U is bonded to twelve U atoms to form a mixture of corner, edge, and face-sharing UU12 cuboctahedra. There are a spread of U–U bond distances ranging from 2.83–3.27 Å. In the second U site, U is bonded in a 2-coordinate geometry to eight U atoms. There are two shorter (2.70 Å) and four longer (3.31 Å) U–U bond lengths. In the third U site, U is bonded in a 2-coordinate geometry to fourteen U atoms. There are a spread of U–U bond distances ranging from 2.81–3.55 Å. In the fourth U site, U is bonded to twelve U atoms to form a mixture of distorted corner, edge, and face-sharing UU12 cuboctahedra. There are a spread of U–U bond distances ranging from 3.04–3.10 Å. In the fifth U site, U is bonded in a 1-coordinate geometry to ten U atoms. The U–U bond length is 2.55 Å.},

  doi          = {10.17188/1313120},

  journal      = {},

  number       = ,

  volume       = ,

  place        = {United States},

  year         = {Mon Jul 20 00:00:00 EDT 2020},

  month        = {Mon Jul 20 00:00:00 EDT 2020}

}

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DOI: https://doi.org/10.17188/1313120

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