U.S. Department of EnergyOffice of Scientific and Technical Information
Materials Data on GdReB4 by Materials Project
Abstract
GdReB4 crystallizes in the orthorhombic Pbam space group. The structure is three-dimensional. Gd3+ is bonded in a 4-coordinate geometry to fourteen B+1.50- atoms. There are a spread of Gd–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 Gd3+, two equivalent Re3+, and three B+1.50- atoms. There are a spread of B–B bond distances ranging from 1.83–1.86 Å. In the second B+1.50- site, B+1.50- is bonded in a 3-coordinate geometry to four equivalent Gd3+, two equivalent Re3+, and three B+1.50- atoms. There is one shorter (1.75 Å) and one longer (1.80 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 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 Gd3+, two equivalent Re3+, and three B+1.50- atoms.
- Publication Date:
- Other Number(s):
- mp-1191130
- DOE Contract Number:
- AC02-05CH11231
- Research Org.:
- LBNL Materials Project; Lawrence Berkeley National Laboratory (LBNL), Berkeley, CA (United States)
- Sponsoring Org.:
- USDOE Office of Science (SC), Basic Energy Sciences (BES) (SC-22)
- Collaborations:
- The Materials Project; MIT; UC Berkeley; Duke; U Louvain
- Subject:
- 36 MATERIALS SCIENCE; B-Gd-Re; GdReB4; crystal structure
- OSTI Identifier:
- 1723886
- DOI:
- https://doi.org/10.17188/1723886
Citation Formats
Materials Data on GdReB4 by Materials Project. United States: N. p., 2020.
Web. doi:10.17188/1723886.
Materials Data on GdReB4 by Materials Project. United States. doi:https://doi.org/10.17188/1723886
2020.
"Materials Data on GdReB4 by Materials Project". United States. doi:https://doi.org/10.17188/1723886. https://www.osti.gov/servlets/purl/1723886. Pub date:Sat May 02 04:00:00 UTC 2020
@article{osti_1723886,
title = {Materials Data on GdReB4 by Materials Project},
abstractNote = {GdReB4 crystallizes in the orthorhombic Pbam space group. The structure is three-dimensional. Gd3+ is bonded in a 4-coordinate geometry to fourteen B+1.50- atoms. There are a spread of Gd–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 Gd3+, two equivalent Re3+, and three B+1.50- atoms. There are a spread of B–B bond distances ranging from 1.83–1.86 Å. In the second B+1.50- site, B+1.50- is bonded in a 3-coordinate geometry to four equivalent Gd3+, two equivalent Re3+, and three B+1.50- atoms. There is one shorter (1.75 Å) and one longer (1.80 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 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 Gd3+, two equivalent Re3+, and three B+1.50- atoms.},
doi = {10.17188/1723886},
journal = {},
number = ,
volume = ,
place = {United States},
year = {2020},
month = {5}
}