Materials Data on LuAlNi by Materials Project

doi:10.17188/1711320

Title: Materials Data on LuAlNi by Materials Project

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Abstract

LuNiAl crystallizes in the hexagonal P-62m space group. The structure is three-dimensional. Lu is bonded in a 11-coordinate geometry to five Ni and six equivalent Al atoms. There are four shorter (2.80 Å) and one longer (2.88 Å) Lu–Ni bond lengths. There are two shorter (3.04 Å) and four longer (3.13 Å) Lu–Al bond lengths. There are two inequivalent Ni sites. In the first Ni site, Ni is bonded in a 9-coordinate geometry to three equivalent Lu and six equivalent Al atoms. All Ni–Al bond lengths are 2.51 Å. In the second Ni site, Ni is bonded in a 9-coordinate geometry to six equivalent Lu and three equivalent Al atoms. All Ni–Al bond lengths are 2.69 Å. Al is bonded in a 12-coordinate geometry to six equivalent Lu, four Ni, and two equivalent Al atoms. Both Al–Al bond lengths are 2.87 Å.

Authors:: The Materials Project

Publication Date:: Sun Apr 26 00:00:00 EDT 2020

Other Number(s):: mp-1079819

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; LuAlNi; Al-Lu-Ni

OSTI Identifier:: 1711320

DOI:: https://doi.org/10.17188/1711320

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                    The Materials Project. Materials Data on LuAlNi by Materials Project.  United States: N. p., 2020. 
        Web.  doi:10.17188/1711320.

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                    The Materials Project. Materials Data on LuAlNi by Materials Project.  United States.  doi:https://doi.org/10.17188/1711320

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                    The Materials Project. 2020.  
"Materials Data on LuAlNi by Materials Project".  United States.  doi:https://doi.org/10.17188/1711320.  https://www.osti.gov/servlets/purl/1711320. Pub date:Sun Apr 26 00:00:00 EDT 2020

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@article{osti_1711320,

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

  author       = {The Materials Project},

  abstractNote = {LuNiAl crystallizes in the hexagonal P-62m space group. The structure is three-dimensional. Lu is bonded in a 11-coordinate geometry to five Ni and six equivalent Al atoms. There are four shorter (2.80 Å) and one longer (2.88 Å) Lu–Ni bond lengths. There are two shorter (3.04 Å) and four longer (3.13 Å) Lu–Al bond lengths. There are two inequivalent Ni sites. In the first Ni site, Ni is bonded in a 9-coordinate geometry to three equivalent Lu and six equivalent Al atoms. All Ni–Al bond lengths are 2.51 Å. In the second Ni site, Ni is bonded in a 9-coordinate geometry to six equivalent Lu and three equivalent Al atoms. All Ni–Al bond lengths are 2.69 Å. Al is bonded in a 12-coordinate geometry to six equivalent Lu, four Ni, and two equivalent Al atoms. Both Al–Al bond lengths are 2.87 Å.},

  doi          = {10.17188/1711320},

  journal      = {},

  number       = ,

  volume       = ,

  place        = {United States},

  year         = {Sun Apr 26 00:00:00 EDT 2020},

  month        = {Sun Apr 26 00:00:00 EDT 2020}

}

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DOI: https://doi.org/10.17188/1711320

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