Materials Data on Gd(Al2Cu)4 by Materials Project

doi:10.17188/1314140

Title: Materials Data on Gd(Al2Cu)4 by Materials Project

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Abstract

Gd(CuAl2)4 crystallizes in the tetragonal I4/mmm space group. The structure is three-dimensional. Gd is bonded in a 12-coordinate geometry to eight equivalent Cu and twelve Al atoms. All Gd–Cu bond lengths are 3.37 Å. There are four shorter (3.06 Å) and eight longer (3.22 Å) Gd–Al bond lengths. Cu is bonded to two equivalent Gd, two equivalent Cu, and eight Al atoms to form a mixture of distorted corner, edge, and face-sharing CuGd2Al8Cu2 cuboctahedra. Both Cu–Cu bond lengths are 2.57 Å. There are four shorter (2.57 Å) and four longer (2.69 Å) Cu–Al bond lengths. There are two inequivalent Al sites. In the first Al site, Al is bonded in a 12-coordinate geometry to two equivalent Gd, four equivalent Cu, and six Al atoms. There are two shorter (2.74 Å) and four longer (2.81 Å) Al–Al bond lengths. In the second Al site, Al is bonded in a 10-coordinate geometry to one Gd, four equivalent Cu, and five Al atoms. The Al–Al bond length is 2.69 Å.

Authors:: The Materials Project

Publication Date:: Mon Aug 03 00:00:00 EDT 2020

Other Number(s):: mp-973553

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; Gd(Al2Cu)4; Al-Cu-Gd

OSTI Identifier:: 1314140

DOI:: https://doi.org/10.17188/1314140

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                    The Materials Project. Materials Data on Gd(Al2Cu)4 by Materials Project.  United States: N. p., 2020. 
        Web.  doi:10.17188/1314140.

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                    The Materials Project. Materials Data on Gd(Al2Cu)4 by Materials Project.  United States.  doi:https://doi.org/10.17188/1314140

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                    The Materials Project. 2020.  
"Materials Data on Gd(Al2Cu)4 by Materials Project".  United States.  doi:https://doi.org/10.17188/1314140.  https://www.osti.gov/servlets/purl/1314140. Pub date:Mon Aug 03 00:00:00 EDT 2020

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@article{osti_1314140,

  title        = {Materials Data on Gd(Al2Cu)4 by Materials Project},

  author       = {The Materials Project},

  abstractNote = {Gd(CuAl2)4 crystallizes in the tetragonal I4/mmm space group. The structure is three-dimensional. Gd is bonded in a 12-coordinate geometry to eight equivalent Cu and twelve Al atoms. All Gd–Cu bond lengths are 3.37 Å. There are four shorter (3.06 Å) and eight longer (3.22 Å) Gd–Al bond lengths. Cu is bonded to two equivalent Gd, two equivalent Cu, and eight Al atoms to form a mixture of distorted corner, edge, and face-sharing CuGd2Al8Cu2 cuboctahedra. Both Cu–Cu bond lengths are 2.57 Å. There are four shorter (2.57 Å) and four longer (2.69 Å) Cu–Al bond lengths. There are two inequivalent Al sites. In the first Al site, Al is bonded in a 12-coordinate geometry to two equivalent Gd, four equivalent Cu, and six Al atoms. There are two shorter (2.74 Å) and four longer (2.81 Å) Al–Al bond lengths. In the second Al site, Al is bonded in a 10-coordinate geometry to one Gd, four equivalent Cu, and five Al atoms. The Al–Al bond length is 2.69 Å.},

  doi          = {10.17188/1314140},

  journal      = {},

  number       = ,

  volume       = ,

  place        = {United States},

  year         = {Mon Aug 03 00:00:00 EDT 2020},

  month        = {Mon Aug 03 00:00:00 EDT 2020}

}

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DOI: https://doi.org/10.17188/1314140

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