Materials Data on UH3 by Materials Project

doi:10.17188/1262153

Title: Materials Data on UH3 by Materials Project

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Abstract

UH3 crystallizes in the cubic Pm-3n space group. The structure is three-dimensional. there are two inequivalent U3+ sites. In the first U3+ site, U3+ is bonded to twelve equivalent H1- atoms to form face-sharing UH12 cuboctahedra. All U–H bond lengths are 2.26 Å. In the second U3+ site, U3+ is bonded to twelve equivalent H1- atoms to form a mixture of edge and face-sharing UH12 cuboctahedra. There are four shorter (2.30 Å) and eight longer (2.33 Å) U–H bond lengths. H1- is bonded to four U3+ atoms to form a mixture of edge, corner, and face-sharing HU4 tetrahedra.

Authors:: The Materials Project

Publication Date:: Wed Jul 15 00:00:00 EDT 2020

Other Number(s):: mp-504970

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; UH3; H-U

OSTI Identifier:: 1262153

DOI:: https://doi.org/10.17188/1262153

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                    The Materials Project. Materials Data on UH3 by Materials Project.  United States: N. p., 2020. 
        Web.  doi:10.17188/1262153.

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                    The Materials Project. Materials Data on UH3 by Materials Project.  United States.  doi:https://doi.org/10.17188/1262153

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                    The Materials Project. 2020.  
"Materials Data on UH3 by Materials Project".  United States.  doi:https://doi.org/10.17188/1262153.  https://www.osti.gov/servlets/purl/1262153. Pub date:Wed Jul 15 00:00:00 EDT 2020

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@article{osti_1262153,

  title        = {Materials Data on UH3 by Materials Project},

  author       = {The Materials Project},

  abstractNote = {UH3 crystallizes in the cubic Pm-3n space group. The structure is three-dimensional. there are two inequivalent U3+ sites. In the first U3+ site, U3+ is bonded to twelve equivalent H1- atoms to form face-sharing UH12 cuboctahedra. All U–H bond lengths are 2.26 Å. In the second U3+ site, U3+ is bonded to twelve equivalent H1- atoms to form a mixture of edge and face-sharing UH12 cuboctahedra. There are four shorter (2.30 Å) and eight longer (2.33 Å) U–H bond lengths. H1- is bonded to four U3+ atoms to form a mixture of edge, corner, and face-sharing HU4 tetrahedra.},

  doi          = {10.17188/1262153},

  journal      = {},

  number       = ,

  volume       = ,

  place        = {United States},

  year         = {Wed Jul 15 00:00:00 EDT 2020},

  month        = {Wed Jul 15 00:00:00 EDT 2020}

}

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DOI: https://doi.org/10.17188/1262153

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