Materials Data on LuAl by Materials Project

doi:10.17188/1191959

Title: Materials Data on LuAl by Materials Project

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Abstract

LuAl crystallizes in the orthorhombic Pbcm space group. The structure is three-dimensional. there are two inequivalent Lu sites. In the first Lu site, Lu is bonded in a 6-coordinate geometry to eight Al atoms. There are a spread of Lu–Al bond distances ranging from 2.99–3.50 Å. In the second Lu site, Lu is bonded in a 2-coordinate geometry to eight Al atoms. There are a spread of Lu–Al bond distances ranging from 3.00–3.35 Å. There are two inequivalent Al sites. In the first Al site, Al is bonded to eight Lu and four Al atoms to form a mixture of distorted edge, face, and corner-sharing AlLu8Al4 cuboctahedra. There are two shorter (2.71 Å) and two longer (2.76 Å) Al–Al bond lengths. In the second Al site, Al is bonded in a 10-coordinate geometry to eight Lu and two equivalent Al atoms.

Authors:: The Materials Project

Publication Date:: 2020-07-14

Other Number(s):: mp-16507

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; LuAl; Al-Lu

OSTI Identifier:: 1191959

DOI:: https://doi.org/10.17188/1191959

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                    The Materials Project. Materials Data on LuAl by Materials Project.  United States: N. p., 2020. 
        Web.  doi:10.17188/1191959.

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                    The Materials Project. Materials Data on LuAl by Materials Project.  United States.  doi:https://doi.org/10.17188/1191959

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                    The Materials Project. 2020.  
"Materials Data on LuAl by Materials Project".  United States.  doi:https://doi.org/10.17188/1191959.  https://www.osti.gov/servlets/purl/1191959. Pub date:Tue Jul 14 00:00:00 EDT 2020

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@article{osti_1191959,

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

  author       = {The Materials Project},

  abstractNote = {LuAl crystallizes in the orthorhombic Pbcm space group. The structure is three-dimensional. there are two inequivalent Lu sites. In the first Lu site, Lu is bonded in a 6-coordinate geometry to eight Al atoms. There are a spread of Lu–Al bond distances ranging from 2.99–3.50 Å. In the second Lu site, Lu is bonded in a 2-coordinate geometry to eight Al atoms. There are a spread of Lu–Al bond distances ranging from 3.00–3.35 Å. There are two inequivalent Al sites. In the first Al site, Al is bonded to eight Lu and four Al atoms to form a mixture of distorted edge, face, and corner-sharing AlLu8Al4 cuboctahedra. There are two shorter (2.71 Å) and two longer (2.76 Å) Al–Al bond lengths. In the second Al site, Al is bonded in a 10-coordinate geometry to eight Lu and two equivalent Al atoms.},

  doi          = {10.17188/1191959},

  journal      = {},

  number       = ,

  volume       = ,

  place        = {United States},

  year         = {2020},

  month        = {7}

}

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DOI: https://doi.org/10.17188/1191959

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