Materials Data on LuAl3Ni2 by Materials Project

doi:10.17188/1743816

Title: Materials Data on LuAl3Ni2 by Materials Project

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Abstract

LuNi2Al3 crystallizes in the hexagonal P6/mmm space group. The structure is three-dimensional. there are two inequivalent Lu sites. In the first Lu site, Lu is bonded in a hexagonal planar geometry to six equivalent Ni atoms. All Lu–Ni bond lengths are 2.83 Å. In the second Lu site, Lu is bonded in a 6-coordinate geometry to six equivalent Ni and twelve Al atoms. All Lu–Ni bond lengths are 3.08 Å. There are six shorter (3.16 Å) and six longer (3.27 Å) Lu–Al bond lengths. Ni is bonded in a 9-coordinate geometry to three Lu and six Al atoms. All Ni–Al bond lengths are 2.47 Å. There are two inequivalent Al sites. In the first Al site, Al is bonded in a 12-coordinate geometry to four equivalent Lu and four equivalent Ni atoms. In the second Al site, Al is bonded in a 4-coordinate geometry to two equivalent Lu and four equivalent Ni atoms.

Authors:: The Materials Project

Publication Date:: 2020-05-03

Other Number(s):: mp-1189515

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; LuAl3Ni2; Al-Lu-Ni

OSTI Identifier:: 1743816

DOI:: https://doi.org/10.17188/1743816

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                    The Materials Project. Materials Data on LuAl3Ni2 by Materials Project.  United States: N. p., 2020. 
        Web.  doi:10.17188/1743816.

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                    The Materials Project. Materials Data on LuAl3Ni2 by Materials Project.  United States.  doi:https://doi.org/10.17188/1743816

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                    The Materials Project. 2020.  
"Materials Data on LuAl3Ni2 by Materials Project".  United States.  doi:https://doi.org/10.17188/1743816.  https://www.osti.gov/servlets/purl/1743816. Pub date:Sun May 03 00:00:00 EDT 2020

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@article{osti_1743816,

  title        = {Materials Data on LuAl3Ni2 by Materials Project},

  author       = {The Materials Project},

  abstractNote = {LuNi2Al3 crystallizes in the hexagonal P6/mmm space group. The structure is three-dimensional. there are two inequivalent Lu sites. In the first Lu site, Lu is bonded in a hexagonal planar geometry to six equivalent Ni atoms. All Lu–Ni bond lengths are 2.83 Å. In the second Lu site, Lu is bonded in a 6-coordinate geometry to six equivalent Ni and twelve Al atoms. All Lu–Ni bond lengths are 3.08 Å. There are six shorter (3.16 Å) and six longer (3.27 Å) Lu–Al bond lengths. Ni is bonded in a 9-coordinate geometry to three Lu and six Al atoms. All Ni–Al bond lengths are 2.47 Å. There are two inequivalent Al sites. In the first Al site, Al is bonded in a 12-coordinate geometry to four equivalent Lu and four equivalent Ni atoms. In the second Al site, Al is bonded in a 4-coordinate geometry to two equivalent Lu and four equivalent Ni atoms.},

  doi          = {10.17188/1743816},

  journal      = {},

  number       = ,

  volume       = ,

  place        = {United States},

  year         = {2020},

  month        = {5}

}

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DOI: https://doi.org/10.17188/1743816

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