Materials Data on GdCoNi3B by Materials Project

doi:10.17188/1713490

Title: Materials Data on GdCoNi3B by Materials Project

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Abstract

GdCoNi3B 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 distorted hexagonal planar geometry to six equivalent Co atoms. All Gd–Co bond lengths are 2.89 Å. In the second Gd site, Gd is bonded in a 12-coordinate geometry to twelve equivalent Ni and six equivalent B atoms. All Gd–Ni bond lengths are 2.88 Å. All Gd–B bond lengths are 2.89 Å. Co is bonded in a 12-coordinate geometry to three equivalent Gd and six equivalent Ni atoms. All Co–Ni bond lengths are 2.49 Å. Ni is bonded in a distorted L-shaped geometry to two equivalent Gd, two equivalent Co, and two equivalent B atoms. Both Ni–B bond lengths are 2.04 Å. B is bonded in a 6-coordinate geometry to three equivalent Gd and six equivalent Ni atoms.

Authors:: The Materials Project

Publication Date:: 2018-07-18

Other Number(s):: mp-1102353

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; GdCoNi3B; B-Co-Gd-Ni

OSTI Identifier:: 1713490

DOI:: https://doi.org/10.17188/1713490

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                    The Materials Project. Materials Data on GdCoNi3B by Materials Project.  United States: N. p., 2018. 
        Web.  doi:10.17188/1713490.

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                    The Materials Project. Materials Data on GdCoNi3B by Materials Project.  United States.  doi:https://doi.org/10.17188/1713490

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                    The Materials Project. 2018.  
"Materials Data on GdCoNi3B by Materials Project".  United States.  doi:https://doi.org/10.17188/1713490.  https://www.osti.gov/servlets/purl/1713490. Pub date:Wed Jul 18 00:00:00 EDT 2018

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@article{osti_1713490,

  title        = {Materials Data on GdCoNi3B by Materials Project},

  author       = {The Materials Project},

  abstractNote = {GdCoNi3B 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 distorted hexagonal planar geometry to six equivalent Co atoms. All Gd–Co bond lengths are 2.89 Å. In the second Gd site, Gd is bonded in a 12-coordinate geometry to twelve equivalent Ni and six equivalent B atoms. All Gd–Ni bond lengths are 2.88 Å. All Gd–B bond lengths are 2.89 Å. Co is bonded in a 12-coordinate geometry to three equivalent Gd and six equivalent Ni atoms. All Co–Ni bond lengths are 2.49 Å. Ni is bonded in a distorted L-shaped geometry to two equivalent Gd, two equivalent Co, and two equivalent B atoms. Both Ni–B bond lengths are 2.04 Å. B is bonded in a 6-coordinate geometry to three equivalent Gd and six equivalent Ni atoms.},

  doi          = {10.17188/1713490},

  journal      = {},

  number       = ,

  volume       = ,

  place        = {United States},

  year         = {2018},

  month        = {7}

}

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DOI: https://doi.org/10.17188/1713490

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