Materials Data on GdAl3Ni2 by Materials Project

doi:10.17188/1749764

Title: Materials Data on GdAl3Ni2 by Materials Project

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Abstract

GdNi2Al3 crystallizes in the hexagonal P6/mmm space group. The structure is three-dimensional. there are two inequivalent Gd sites. In the first Gd site, Gd is bonded in a 6-coordinate geometry to six equivalent Ni and twelve Al atoms. All Gd–Ni bond lengths are 3.16 Å. There are six shorter (3.19 Å) and six longer (3.33 Å) Gd–Al bond lengths. In the second Gd site, Gd is bonded in a hexagonal planar geometry to six equivalent Ni atoms. All Gd–Ni bond lengths are 2.84 Å. Ni is bonded in a 9-coordinate geometry to three Gd and six Al atoms. There are four shorter (2.50 Å) and two longer (2.53 Å) Ni–Al bond lengths. There are two inequivalent Al sites. In the first Al site, Al is bonded in a 12-coordinate geometry to four equivalent Gd and four equivalent Ni atoms. In the second Al site, Al is bonded in a 12-coordinate geometry to two equivalent Gd and four equivalent Ni atoms.

Authors:: The Materials Project

Publication Date:: 2020-04-30

Other Number(s):: mp-1212604

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; GdAl3Ni2; Al-Gd-Ni

OSTI Identifier:: 1749764

DOI:: https://doi.org/10.17188/1749764

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                    The Materials Project. Materials Data on GdAl3Ni2 by Materials Project.  United States: N. p., 2020. 
        Web.  doi:10.17188/1749764.

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                    The Materials Project. Materials Data on GdAl3Ni2 by Materials Project.  United States.  doi:https://doi.org/10.17188/1749764

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                    The Materials Project. 2020.  
"Materials Data on GdAl3Ni2 by Materials Project".  United States.  doi:https://doi.org/10.17188/1749764.  https://www.osti.gov/servlets/purl/1749764. Pub date:Thu Apr 30 00:00:00 EDT 2020

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@article{osti_1749764,

  title        = {Materials Data on GdAl3Ni2 by Materials Project},

  author       = {The Materials Project},

  abstractNote = {GdNi2Al3 crystallizes in the hexagonal P6/mmm space group. The structure is three-dimensional. there are two inequivalent Gd sites. In the first Gd site, Gd is bonded in a 6-coordinate geometry to six equivalent Ni and twelve Al atoms. All Gd–Ni bond lengths are 3.16 Å. There are six shorter (3.19 Å) and six longer (3.33 Å) Gd–Al bond lengths. In the second Gd site, Gd is bonded in a hexagonal planar geometry to six equivalent Ni atoms. All Gd–Ni bond lengths are 2.84 Å. Ni is bonded in a 9-coordinate geometry to three Gd and six Al atoms. There are four shorter (2.50 Å) and two longer (2.53 Å) Ni–Al bond lengths. There are two inequivalent Al sites. In the first Al site, Al is bonded in a 12-coordinate geometry to four equivalent Gd and four equivalent Ni atoms. In the second Al site, Al is bonded in a 12-coordinate geometry to two equivalent Gd and four equivalent Ni atoms.},

  doi          = {10.17188/1749764},

  journal      = {},

  number       = ,

  volume       = ,

  place        = {United States},

  year         = {2020},

  month        = {4}

}

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DOI: https://doi.org/10.17188/1749764

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