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Title: Materials Data on TmB4Ru by Materials Project

Abstract

TmRuB4 crystallizes in the orthorhombic Pbam space group. The structure is three-dimensional. Tm3+ is bonded in a 2-coordinate geometry to fourteen B+1.50- atoms. There are a spread of Tm–B bond distances ranging from 2.61–2.75 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 Tm3+, two equivalent Ru3+, and three B+1.50- atoms. There are a spread of B–B bond distances ranging from 1.75–1.86 Å. In the second B+1.50- site, B+1.50- is bonded in a 9-coordinate geometry to four equivalent Tm3+, two equivalent Ru3+, and three B+1.50- atoms. The B–B bond length is 1.84 Å. In the third B+1.50- site, B+1.50- is bonded in a 9-coordinate geometry to four equivalent Tm3+, two equivalent Ru3+, and three B+1.50- atoms. Both B–B bond lengths are 1.74 Å. In the fourth B+1.50- site, B+1.50- is bonded in a 9-coordinate geometry to two equivalent Tm3+, four equivalent Ru3+, and three B+1.50- atoms. The B–B bond length is 1.72 Å.

Authors:
Publication Date:
Other Number(s):
mp-971813
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; TmB4Ru; B-Ru-Tm
OSTI Identifier:
1313637
DOI:
https://doi.org/10.17188/1313637

Citation Formats

The Materials Project. Materials Data on TmB4Ru by Materials Project. United States: N. p., 2020. Web. doi:10.17188/1313637.
The Materials Project. Materials Data on TmB4Ru by Materials Project. United States. doi:https://doi.org/10.17188/1313637
The Materials Project. 2020. "Materials Data on TmB4Ru by Materials Project". United States. doi:https://doi.org/10.17188/1313637. https://www.osti.gov/servlets/purl/1313637. Pub date:Wed Jul 15 00:00:00 EDT 2020
@article{osti_1313637,
title = {Materials Data on TmB4Ru by Materials Project},
author = {The Materials Project},
abstractNote = {TmRuB4 crystallizes in the orthorhombic Pbam space group. The structure is three-dimensional. Tm3+ is bonded in a 2-coordinate geometry to fourteen B+1.50- atoms. There are a spread of Tm–B bond distances ranging from 2.61–2.75 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 Tm3+, two equivalent Ru3+, and three B+1.50- atoms. There are a spread of B–B bond distances ranging from 1.75–1.86 Å. In the second B+1.50- site, B+1.50- is bonded in a 9-coordinate geometry to four equivalent Tm3+, two equivalent Ru3+, and three B+1.50- atoms. The B–B bond length is 1.84 Å. In the third B+1.50- site, B+1.50- is bonded in a 9-coordinate geometry to four equivalent Tm3+, two equivalent Ru3+, and three B+1.50- atoms. Both B–B bond lengths are 1.74 Å. In the fourth B+1.50- site, B+1.50- is bonded in a 9-coordinate geometry to two equivalent Tm3+, four equivalent Ru3+, and three B+1.50- atoms. The B–B bond length is 1.72 Å.},
doi = {10.17188/1313637},
journal = {},
number = ,
volume = ,
place = {United States},
year = {2020},
month = {7}
}