Materials Data on UNi5 by Materials Project

doi:10.17188/1202495

Title: Materials Data on UNi5 by Materials Project

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Abstract

UNi5 crystallizes in the cubic F-43m space group. The structure is three-dimensional. U is bonded in a 12-coordinate geometry to sixteen Ni atoms. There are twelve shorter (2.80 Å) and four longer (2.93 Å) U–Ni bond lengths. There are two inequivalent Ni sites. In the first Ni site, Ni is bonded in a 4-coordinate geometry to four equivalent U and twelve equivalent Ni atoms. All Ni–Ni bond lengths are 2.80 Å. In the second Ni site, Ni is bonded to three equivalent U and nine Ni atoms to form a mixture of distorted corner, edge, and face-sharing NiU3Ni9 cuboctahedra. There are three shorter (2.38 Å) and three longer (2.40 Å) Ni–Ni bond lengths.

Authors:: The Materials Project

Publication Date:: 2020-07-15

Other Number(s):: mp-2838

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; UNi5; Ni-U

OSTI Identifier:: 1202495

DOI:: https://doi.org/10.17188/1202495

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                    The Materials Project. Materials Data on UNi5 by Materials Project.  United States: N. p., 2020. 
        Web.  doi:10.17188/1202495.

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                    The Materials Project. Materials Data on UNi5 by Materials Project.  United States.  doi:https://doi.org/10.17188/1202495

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                    The Materials Project. 2020.  
"Materials Data on UNi5 by Materials Project".  United States.  doi:https://doi.org/10.17188/1202495.  https://www.osti.gov/servlets/purl/1202495. Pub date:Wed Jul 15 00:00:00 EDT 2020

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@article{osti_1202495,

  title        = {Materials Data on UNi5 by Materials Project},

  author       = {The Materials Project},

  abstractNote = {UNi5 crystallizes in the cubic F-43m space group. The structure is three-dimensional. U is bonded in a 12-coordinate geometry to sixteen Ni atoms. There are twelve shorter (2.80 Å) and four longer (2.93 Å) U–Ni bond lengths. There are two inequivalent Ni sites. In the first Ni site, Ni is bonded in a 4-coordinate geometry to four equivalent U and twelve equivalent Ni atoms. All Ni–Ni bond lengths are 2.80 Å. In the second Ni site, Ni is bonded to three equivalent U and nine Ni atoms to form a mixture of distorted corner, edge, and face-sharing NiU3Ni9 cuboctahedra. There are three shorter (2.38 Å) and three longer (2.40 Å) Ni–Ni bond lengths.},

  doi          = {10.17188/1202495},

  journal      = {},

  number       = ,

  volume       = ,

  place        = {United States},

  year         = {2020},

  month        = {7}

}

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DOI: https://doi.org/10.17188/1202495

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