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Title: Materials Data on GdB4Ru by Materials Project

Abstract

GdRuB4 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 2.65–2.79 Å. Ru3+ is bonded in a 10-coordinate geometry to ten B+1.50- atoms. There are a spread of Ru–B bond distances ranging from 2.27–2.41 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 Ru3+, and three B+1.50- atoms. There are a spread of B–B bond distances ranging from 1.82–1.86 Å. In the second B+1.50- site, B+1.50- is bonded in a 9-coordinate geometry to four equivalent Gd3+, two equivalent Ru3+, and three B+1.50- atoms. There is one shorter (1.75 Å) and one longer (1.79 Å) B–B bond length. In the third B+1.50- site, B+1.50- is bonded in a 9-coordinate geometry to two equivalent Gd3+, four equivalent Ru3+, and three B+1.50- atoms. There is one shorter (1.71 Å) and one longer (1.76 Å) B–B bond length. In the fourth B+1.50- site, B+1.50- is bonded in a 9-coordinate geometry to four equivalent Gd3+, two equivalent Ru3+, and three B+1.50- atoms.

Authors:
Publication Date:
Other Number(s):
mp-1192291
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; GdB4Ru; B-Gd-Ru
OSTI Identifier:
1687424
DOI:
https://doi.org/10.17188/1687424

Citation Formats

The Materials Project. Materials Data on GdB4Ru by Materials Project. United States: N. p., 2020. Web. doi:10.17188/1687424.
The Materials Project. Materials Data on GdB4Ru by Materials Project. United States. doi:https://doi.org/10.17188/1687424
The Materials Project. 2020. "Materials Data on GdB4Ru by Materials Project". United States. doi:https://doi.org/10.17188/1687424. https://www.osti.gov/servlets/purl/1687424. Pub date:Sat May 02 00:00:00 EDT 2020
@article{osti_1687424,
title = {Materials Data on GdB4Ru by Materials Project},
author = {The Materials Project},
abstractNote = {GdRuB4 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 2.65–2.79 Å. Ru3+ is bonded in a 10-coordinate geometry to ten B+1.50- atoms. There are a spread of Ru–B bond distances ranging from 2.27–2.41 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 Ru3+, and three B+1.50- atoms. There are a spread of B–B bond distances ranging from 1.82–1.86 Å. In the second B+1.50- site, B+1.50- is bonded in a 9-coordinate geometry to four equivalent Gd3+, two equivalent Ru3+, and three B+1.50- atoms. There is one shorter (1.75 Å) and one longer (1.79 Å) B–B bond length. In the third B+1.50- site, B+1.50- is bonded in a 9-coordinate geometry to two equivalent Gd3+, four equivalent Ru3+, and three B+1.50- atoms. There is one shorter (1.71 Å) and one longer (1.76 Å) B–B bond length. In the fourth B+1.50- site, B+1.50- is bonded in a 9-coordinate geometry to four equivalent Gd3+, two equivalent Ru3+, and three B+1.50- atoms.},
doi = {10.17188/1687424},
journal = {},
number = ,
volume = ,
place = {United States},
year = {2020},
month = {5}
}