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Title: Materials Data on TbReB4 by Materials Project

Abstract

TbReB4 crystallizes in the orthorhombic Pbam space group. The structure is three-dimensional. Tb3+ is bonded in a 4-coordinate geometry to fourteen B+1.50- atoms. There are a spread of Tb–B bond distances ranging from 2.68–2.82 Å. Re3+ is bonded in a 10-coordinate geometry to ten B+1.50- atoms. There are a spread of Re–B bond distances ranging from 2.33–2.39 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 Tb3+, two equivalent Re3+, and three B+1.50- atoms. There is two shorter (1.83 Å) and one longer (1.86 Å) B–B bond length. In the second B+1.50- site, B+1.50- is bonded in a 3-coordinate geometry to four equivalent Tb3+, two equivalent Re3+, 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 Tb3+, four equivalent Re3+, and three B+1.50- atoms. There is one shorter (1.74 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 Tb3+, two equivalent Re3+, and three B+1.50- atoms.

Authors:
Publication Date:
Other Number(s):
mp-1192121
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; TbReB4; B-Re-Tb
OSTI Identifier:
1718752
DOI:
https://doi.org/10.17188/1718752

Citation Formats

The Materials Project. Materials Data on TbReB4 by Materials Project. United States: N. p., 2020. Web. doi:10.17188/1718752.
The Materials Project. Materials Data on TbReB4 by Materials Project. United States. doi:https://doi.org/10.17188/1718752
The Materials Project. 2020. "Materials Data on TbReB4 by Materials Project". United States. doi:https://doi.org/10.17188/1718752. https://www.osti.gov/servlets/purl/1718752. Pub date:Mon May 04 00:00:00 EDT 2020
@article{osti_1718752,
title = {Materials Data on TbReB4 by Materials Project},
author = {The Materials Project},
abstractNote = {TbReB4 crystallizes in the orthorhombic Pbam space group. The structure is three-dimensional. Tb3+ is bonded in a 4-coordinate geometry to fourteen B+1.50- atoms. There are a spread of Tb–B bond distances ranging from 2.68–2.82 Å. Re3+ is bonded in a 10-coordinate geometry to ten B+1.50- atoms. There are a spread of Re–B bond distances ranging from 2.33–2.39 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 Tb3+, two equivalent Re3+, and three B+1.50- atoms. There is two shorter (1.83 Å) and one longer (1.86 Å) B–B bond length. In the second B+1.50- site, B+1.50- is bonded in a 3-coordinate geometry to four equivalent Tb3+, two equivalent Re3+, 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 Tb3+, four equivalent Re3+, and three B+1.50- atoms. There is one shorter (1.74 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 Tb3+, two equivalent Re3+, and three B+1.50- atoms.},
doi = {10.17188/1718752},
journal = {},
number = ,
volume = ,
place = {United States},
year = {2020},
month = {5}
}