Materials Data on Er(Al2Mo)2 by Materials Project

doi:10.17188/1355438

Title: Materials Data on Er(Al2Mo)2 by Materials Project

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Abstract

Er(MoAl2)2 crystallizes in the tetragonal I4/mmm space group. The structure is three-dimensional. Er is bonded in a 4-coordinate geometry to twelve Al atoms. There are four shorter (2.91 Å) and eight longer (3.25 Å) Er–Al bond lengths. Mo is bonded in a 10-coordinate geometry to two equivalent Mo and eight Al atoms. Both Mo–Mo bond lengths are 2.67 Å. All Mo–Al bond lengths are 2.78 Å. There are four inequivalent Al sites. In the first Al site, Al is bonded in a 11-coordinate geometry to three equivalent Er, four equivalent Mo, and four Al atoms. There are two shorter (2.62 Å) and two longer (2.87 Å) Al–Al bond lengths. In the second Al site, Al is bonded in a 11-coordinate geometry to three equivalent Er, four equivalent Mo, and four Al atoms. Both Al–Al bond lengths are 2.62 Å. In the third Al site, Al is bonded in a 11-coordinate geometry to three equivalent Er, four equivalent Mo, and four Al atoms. There are one shorter (2.62 Å) and two longer (2.87 Å) Al–Al bond lengths. In the fourth Al site, Al is bonded in a 11-coordinate geometry to three equivalent Er, four equivalent Mo, and four Al atoms. Themore » Al–Al bond length is 2.62 Å.« less

Authors:: The Materials Project

Publication Date:: 2020-07-16

Other Number(s):: mp-1025358

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; Er(Al2Mo)2; Al-Er-Mo

OSTI Identifier:: 1355438

DOI:: https://doi.org/10.17188/1355438

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                    The Materials Project. Materials Data on Er(Al2Mo)2 by Materials Project.  United States: N. p., 2020. 
        Web.  doi:10.17188/1355438.

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                    The Materials Project. Materials Data on Er(Al2Mo)2 by Materials Project.  United States.  doi:https://doi.org/10.17188/1355438

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                    The Materials Project. 2020.  
"Materials Data on Er(Al2Mo)2 by Materials Project".  United States.  doi:https://doi.org/10.17188/1355438.  https://www.osti.gov/servlets/purl/1355438. Pub date:Thu Jul 16 00:00:00 EDT 2020

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@article{osti_1355438,

  title        = {Materials Data on Er(Al2Mo)2 by Materials Project},

  author       = {The Materials Project},

  abstractNote = {Er(MoAl2)2 crystallizes in the tetragonal I4/mmm space group. The structure is three-dimensional. Er is bonded in a 4-coordinate geometry to twelve Al atoms. There are four shorter (2.91 Å) and eight longer (3.25 Å) Er–Al bond lengths. Mo is bonded in a 10-coordinate geometry to two equivalent Mo and eight Al atoms. Both Mo–Mo bond lengths are 2.67 Å. All Mo–Al bond lengths are 2.78 Å. There are four inequivalent Al sites. In the first Al site, Al is bonded in a 11-coordinate geometry to three equivalent Er, four equivalent Mo, and four Al atoms. There are two shorter (2.62 Å) and two longer (2.87 Å) Al–Al bond lengths. In the second Al site, Al is bonded in a 11-coordinate geometry to three equivalent Er, four equivalent Mo, and four Al atoms. Both Al–Al bond lengths are 2.62 Å. In the third Al site, Al is bonded in a 11-coordinate geometry to three equivalent Er, four equivalent Mo, and four Al atoms. There are one shorter (2.62 Å) and two longer (2.87 Å) Al–Al bond lengths. In the fourth Al site, Al is bonded in a 11-coordinate geometry to three equivalent Er, four equivalent Mo, and four Al atoms. The Al–Al bond length is 2.62 Å.},

  doi          = {10.17188/1355438},

  journal      = {},

  number       = ,

  volume       = ,

  place        = {United States},

  year         = {2020},

  month        = {7}

}

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DOI: https://doi.org/10.17188/1355438

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