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Title: Materials Data on GdCoB4 by Materials Project

Abstract

GdCoB4 crystallizes in the orthorhombic Pbam space group. The structure is three-dimensional. Gd3+ is bonded in a 2-coordinate geometry to fourteen B+1.50- atoms. There are a spread of Gd–B bond distances ranging from 2.59–2.72 Å. Co3+ is bonded in a 10-coordinate geometry to ten B+1.50- atoms. There are a spread of Co–B bond distances ranging from 2.20–2.30 Å. There are four inequivalent B+1.50- sites. In the first B+1.50- site, B+1.50- is bonded in a 9-coordinate geometry to four equivalent Gd3+, two equivalent Co3+, and three B+1.50- atoms. There are a spread of B–B bond distances ranging from 1.74–1.86 Å. In the second B+1.50- site, B+1.50- is bonded in a 9-coordinate geometry to two equivalent Gd3+, four equivalent Co3+, and three B+1.50- atoms. There is one shorter (1.68 Å) and one longer (1.73 Å) B–B bond length. In the third B+1.50- site, B+1.50- is bonded in a 9-coordinate geometry to four equivalent Gd3+, two equivalent Co3+, and three B+1.50- atoms. The B–B bond length is 1.80 Å. In the fourth B+1.50- site, B+1.50- is bonded in a 9-coordinate geometry to four equivalent Gd3+, two equivalent Co3+, and three B+1.50- atoms. The B–B bond length is 1.82 Å.

Publication Date:
Other Number(s):
mp-21230
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; GdCoB4; B-Co-Gd
OSTI Identifier:
1196503
DOI:
https://doi.org/10.17188/1196503

Citation Formats

The Materials Project. Materials Data on GdCoB4 by Materials Project. United States: N. p., 2017. Web. doi:10.17188/1196503.
The Materials Project. Materials Data on GdCoB4 by Materials Project. United States. doi:https://doi.org/10.17188/1196503
The Materials Project. 2017. "Materials Data on GdCoB4 by Materials Project". United States. doi:https://doi.org/10.17188/1196503. https://www.osti.gov/servlets/purl/1196503. Pub date:Tue May 09 00:00:00 EDT 2017
@article{osti_1196503,
title = {Materials Data on GdCoB4 by Materials Project},
author = {The Materials Project},
abstractNote = {GdCoB4 crystallizes in the orthorhombic Pbam space group. The structure is three-dimensional. Gd3+ is bonded in a 2-coordinate geometry to fourteen B+1.50- atoms. There are a spread of Gd–B bond distances ranging from 2.59–2.72 Å. Co3+ is bonded in a 10-coordinate geometry to ten B+1.50- atoms. There are a spread of Co–B bond distances ranging from 2.20–2.30 Å. There are four inequivalent B+1.50- sites. In the first B+1.50- site, B+1.50- is bonded in a 9-coordinate geometry to four equivalent Gd3+, two equivalent Co3+, and three B+1.50- atoms. There are a spread of B–B bond distances ranging from 1.74–1.86 Å. In the second B+1.50- site, B+1.50- is bonded in a 9-coordinate geometry to two equivalent Gd3+, four equivalent Co3+, and three B+1.50- atoms. There is one shorter (1.68 Å) and one longer (1.73 Å) B–B bond length. In the third B+1.50- site, B+1.50- is bonded in a 9-coordinate geometry to four equivalent Gd3+, two equivalent Co3+, and three B+1.50- atoms. The B–B bond length is 1.80 Å. In the fourth B+1.50- site, B+1.50- is bonded in a 9-coordinate geometry to four equivalent Gd3+, two equivalent Co3+, and three B+1.50- atoms. The B–B bond length is 1.82 Å.},
doi = {10.17188/1196503},
journal = {},
number = ,
volume = ,
place = {United States},
year = {2017},
month = {5}
}