Materials Data on GdNi5 by Materials Project

doi:10.17188/1196615

Title: Materials Data on GdNi5 by Materials Project

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Abstract

GdNi5 crystallizes in the hexagonal P6/mmm space group. The structure is three-dimensional. Gd is bonded in a 6-coordinate geometry to eighteen Ni atoms. There are six shorter (2.82 Å) and twelve longer (3.14 Å) Gd–Ni bond lengths. There are two inequivalent Ni sites. In the first Ni site, Ni is bonded to four equivalent Gd and eight Ni atoms to form a mixture of corner, edge, and face-sharing NiGd4Ni8 cuboctahedra. There are four shorter (2.42 Å) and four longer (2.44 Å) Ni–Ni bond lengths. In the second Ni site, Ni is bonded in a 12-coordinate geometry to three equivalent Gd and six equivalent Ni atoms.

Authors:: The Materials Project

Publication Date:: Tue Jul 14 00:00:00 EDT 2020

Other Number(s):: mp-21305

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; GdNi5; Gd-Ni

OSTI Identifier:: 1196615

DOI:: https://doi.org/10.17188/1196615

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                    The Materials Project. Materials Data on GdNi5 by Materials Project.  United States: N. p., 2020. 
        Web.  doi:10.17188/1196615.

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                    The Materials Project. Materials Data on GdNi5 by Materials Project.  United States.  doi:https://doi.org/10.17188/1196615

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                    The Materials Project. 2020.  
"Materials Data on GdNi5 by Materials Project".  United States.  doi:https://doi.org/10.17188/1196615.  https://www.osti.gov/servlets/purl/1196615. Pub date:Tue Jul 14 00:00:00 EDT 2020

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@article{osti_1196615,

  title        = {Materials Data on GdNi5 by Materials Project},

  author       = {The Materials Project},

  abstractNote = {GdNi5 crystallizes in the hexagonal P6/mmm space group. The structure is three-dimensional. Gd is bonded in a 6-coordinate geometry to eighteen Ni atoms. There are six shorter (2.82 Å) and twelve longer (3.14 Å) Gd–Ni bond lengths. There are two inequivalent Ni sites. In the first Ni site, Ni is bonded to four equivalent Gd and eight Ni atoms to form a mixture of corner, edge, and face-sharing NiGd4Ni8 cuboctahedra. There are four shorter (2.42 Å) and four longer (2.44 Å) Ni–Ni bond lengths. In the second Ni site, Ni is bonded in a 12-coordinate geometry to three equivalent Gd and six equivalent Ni atoms.},

  doi          = {10.17188/1196615},

  journal      = {},

  number       = ,

  volume       = ,

  place        = {United States},

  year         = {Tue Jul 14 00:00:00 EDT 2020},

  month        = {Tue Jul 14 00:00:00 EDT 2020}

}

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DOI: https://doi.org/10.17188/1196615

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