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Title: Materials Data on LuB4Ru by Materials Project

Abstract

LuRuB4 crystallizes in the orthorhombic Pbam space group. The structure is three-dimensional. Lu3+ is bonded in a 2-coordinate geometry to fourteen B+1.50- atoms. There are a spread of Lu–B bond distances ranging from 2.60–2.75 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 2.24–2.39 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 Lu3+, two equivalent Ru3+, and three B+1.50- atoms. There are a spread of B–B bond distances ranging from 1.76–1.86 Å. In the second B+1.50- site, B+1.50- is bonded in a 9-coordinate geometry to four equivalent Lu3+, two equivalent Ru3+, and three B+1.50- atoms. Both B–B bond lengths are 1.73 Å. In the third B+1.50- site, B+1.50- is bonded in a 9-coordinate geometry to two equivalent Lu3+, four equivalent Ru3+, and three B+1.50- atoms. There is one shorter (1.72 Å) and one longer (1.74 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 Lu3+, two equivalent Ru3+, and three B+1.50- atoms.

Authors:
Publication Date:
Other Number(s):
mp-1191771
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; LuB4Ru; B-Lu-Ru
OSTI Identifier:
1687406
DOI:
https://doi.org/10.17188/1687406

Citation Formats

The Materials Project. Materials Data on LuB4Ru by Materials Project. United States: N. p., 2020. Web. doi:10.17188/1687406.
The Materials Project. Materials Data on LuB4Ru by Materials Project. United States. doi:https://doi.org/10.17188/1687406
The Materials Project. 2020. "Materials Data on LuB4Ru by Materials Project". United States. doi:https://doi.org/10.17188/1687406. https://www.osti.gov/servlets/purl/1687406. Pub date:Sun May 03 00:00:00 EDT 2020
@article{osti_1687406,
title = {Materials Data on LuB4Ru by Materials Project},
author = {The Materials Project},
abstractNote = {LuRuB4 crystallizes in the orthorhombic Pbam space group. The structure is three-dimensional. Lu3+ is bonded in a 2-coordinate geometry to fourteen B+1.50- atoms. There are a spread of Lu–B bond distances ranging from 2.60–2.75 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 2.24–2.39 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 Lu3+, two equivalent Ru3+, and three B+1.50- atoms. There are a spread of B–B bond distances ranging from 1.76–1.86 Å. In the second B+1.50- site, B+1.50- is bonded in a 9-coordinate geometry to four equivalent Lu3+, two equivalent Ru3+, and three B+1.50- atoms. Both B–B bond lengths are 1.73 Å. In the third B+1.50- site, B+1.50- is bonded in a 9-coordinate geometry to two equivalent Lu3+, four equivalent Ru3+, and three B+1.50- atoms. There is one shorter (1.72 Å) and one longer (1.74 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 Lu3+, two equivalent Ru3+, and three B+1.50- atoms.},
doi = {10.17188/1687406},
journal = {},
number = ,
volume = ,
place = {United States},
year = {2020},
month = {5}
}