Materials Data on UAlNi by Materials Project

doi:10.17188/1654174

Title: Materials Data on UAlNi by Materials Project

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Abstract

UNiAl crystallizes in the orthorhombic Amm2 space group. The structure is three-dimensional. there are two inequivalent U sites. In the first U site, U is bonded in a 5-coordinate geometry to five Ni atoms. There are one shorter (2.78 Å) and four longer (2.85 Å) U–Ni bond lengths. In the second U site, U is bonded in a 5-coordinate geometry to five Ni atoms. There are a spread of U–Ni bond distances ranging from 2.83–2.87 Å. There are two inequivalent Ni sites. In the first Ni site, Ni is bonded in a 9-coordinate geometry to three U and six Al atoms. All Ni–Al bond lengths are 2.58 Å. In the second Ni site, Ni is bonded in a 9-coordinate geometry to six U and three Al atoms. There are a spread of Ni–Al bond distances ranging from 2.57–2.64 Å. There are two inequivalent Al sites. In the first Al site, Al is bonded in a 4-coordinate geometry to four Ni atoms. In the second Al site, Al is bonded in a 4-coordinate geometry to four Ni atoms.

Authors:: The Materials Project

Publication Date:: 2020-07-16

Other Number(s):: mp-1079129

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; UAlNi; Al-Ni-U

OSTI Identifier:: 1654174

DOI:: https://doi.org/10.17188/1654174

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                    The Materials Project. Materials Data on UAlNi by Materials Project.  United States: N. p., 2020. 
        Web.  doi:10.17188/1654174.

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                    The Materials Project. Materials Data on UAlNi by Materials Project.  United States.  doi:https://doi.org/10.17188/1654174

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                    The Materials Project. 2020.  
"Materials Data on UAlNi by Materials Project".  United States.  doi:https://doi.org/10.17188/1654174.  https://www.osti.gov/servlets/purl/1654174. Pub date:Thu Jul 16 00:00:00 EDT 2020

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@article{osti_1654174,

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

  author       = {The Materials Project},

  abstractNote = {UNiAl crystallizes in the orthorhombic Amm2 space group. The structure is three-dimensional. there are two inequivalent U sites. In the first U site, U is bonded in a 5-coordinate geometry to five Ni atoms. There are one shorter (2.78 Å) and four longer (2.85 Å) U–Ni bond lengths. In the second U site, U is bonded in a 5-coordinate geometry to five Ni atoms. There are a spread of U–Ni bond distances ranging from 2.83–2.87 Å. There are two inequivalent Ni sites. In the first Ni site, Ni is bonded in a 9-coordinate geometry to three U and six Al atoms. All Ni–Al bond lengths are 2.58 Å. In the second Ni site, Ni is bonded in a 9-coordinate geometry to six U and three Al atoms. There are a spread of Ni–Al bond distances ranging from 2.57–2.64 Å. There are two inequivalent Al sites. In the first Al site, Al is bonded in a 4-coordinate geometry to four Ni atoms. In the second Al site, Al is bonded in a 4-coordinate geometry to four Ni atoms.},

  doi          = {10.17188/1654174},

  journal      = {},

  number       = ,

  volume       = ,

  place        = {United States},

  year         = {2020},

  month        = {7}

}

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DOI: https://doi.org/10.17188/1654174

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