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Title: Materials Data on Gd(Co2B)6 by Materials Project

Abstract

GdCo12B6 crystallizes in the trigonal R-3m space group. The structure is three-dimensional. Gd3+ is bonded in a hexagonal planar geometry to six equivalent B3- atoms. All Gd–B bond lengths are 3.04 Å. There are two inequivalent Co+1.25+ sites. In the first Co+1.25+ site, Co+1.25+ is bonded to four equivalent B3- atoms to form a mixture of distorted edge and corner-sharing CoB4 trigonal pyramids. There are two shorter (2.02 Å) and two longer (2.04 Å) Co–B bond lengths. In the second Co+1.25+ site, Co+1.25+ is bonded in a T-shaped geometry to three equivalent B3- atoms. There are one shorter (2.09 Å) and two longer (2.10 Å) Co–B bond lengths. B3- is bonded in a 7-coordinate geometry to one Gd3+ and seven Co+1.25+ atoms.

Authors:
Contributors:
Researcher:
Publication Date:
Other Number(s):
mp-645286
DOE Contract Number:  
AC02-05CH11231; EDCBEE
Product Type:
Dataset
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)
Subject:
36 MATERIALS SCIENCE
Keywords:
crystal structure; Gd(Co2B)6; B-Co-Gd
OSTI Identifier:
1280521
DOI:
10.17188/1280521

Citation Formats

Persson, Kristin, and Project, Materials. Materials Data on Gd(Co2B)6 by Materials Project. United States: N. p., 2020. Web. doi:10.17188/1280521.
Persson, Kristin, & Project, Materials. Materials Data on Gd(Co2B)6 by Materials Project. United States. doi:10.17188/1280521.
Persson, Kristin, and Project, Materials. 2020. "Materials Data on Gd(Co2B)6 by Materials Project". United States. doi:10.17188/1280521. https://www.osti.gov/servlets/purl/1280521. Pub date:Tue Jul 14 00:00:00 EDT 2020
@article{osti_1280521,
title = {Materials Data on Gd(Co2B)6 by Materials Project},
author = {Persson, Kristin and Project, Materials},
abstractNote = {GdCo12B6 crystallizes in the trigonal R-3m space group. The structure is three-dimensional. Gd3+ is bonded in a hexagonal planar geometry to six equivalent B3- atoms. All Gd–B bond lengths are 3.04 Å. There are two inequivalent Co+1.25+ sites. In the first Co+1.25+ site, Co+1.25+ is bonded to four equivalent B3- atoms to form a mixture of distorted edge and corner-sharing CoB4 trigonal pyramids. There are two shorter (2.02 Å) and two longer (2.04 Å) Co–B bond lengths. In the second Co+1.25+ site, Co+1.25+ is bonded in a T-shaped geometry to three equivalent B3- atoms. There are one shorter (2.09 Å) and two longer (2.10 Å) Co–B bond lengths. B3- is bonded in a 7-coordinate geometry to one Gd3+ and seven Co+1.25+ atoms.},
doi = {10.17188/1280521},
journal = {},
number = ,
volume = ,
place = {United States},
year = {2020},
month = {7}
}

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