U.S. Department of EnergyOffice of Scientific and Technical Information
Materials Data on Tb(Al5Re)2 by Materials Project
Abstract
TbRe2Al10 crystallizes in the orthorhombic Cmcm space group. The structure is three-dimensional. there are two inequivalent Tb sites. In the first Tb site, Tb is bonded in a 4-coordinate geometry to fourteen Al atoms. There are a spread of Tb–Al bond distances ranging from 3.11–3.31 Å. In the second Tb site, Tb is bonded in a 8-coordinate geometry to four equivalent Re and sixteen Al atoms. All Tb–Re bond lengths are 3.44 Å. There are a spread of Tb–Al bond distances ranging from 3.07–3.49 Å. Re is bonded in a 10-coordinate geometry to one Tb and ten Al atoms. There are a spread of Re–Al bond distances ranging from 2.55–2.79 Å. There are fourteen inequivalent Al sites. In the first Al site, Al is bonded in a distorted linear geometry to two equivalent Tb, two equivalent Re, and eight Al atoms. There are a spread of Al–Al bond distances ranging from 2.70–2.87 Å. In the second Al site, Al is bonded in a 12-coordinate geometry to one Tb, two equivalent Re, and seven Al atoms. There are a spread of Al–Al bond distances ranging from 2.67–3.04 Å. In the third Al site, Al is bonded in a 12-coordinate geometry tomore »
- Authors:
- Publication Date:
- Other Number(s):
- mp-1208386
- 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; Tb(Al5Re)2; Al-Re-Tb
- OSTI Identifier:
- 1690946
- DOI:
- https://doi.org/10.17188/1690946
Citation Formats
The Materials Project. Materials Data on Tb(Al5Re)2 by Materials Project. United States: N. p., 2020.
Web. doi:10.17188/1690946.
The Materials Project. Materials Data on Tb(Al5Re)2 by Materials Project. United States. doi:https://doi.org/10.17188/1690946
The Materials Project. 2020.
"Materials Data on Tb(Al5Re)2 by Materials Project". United States. doi:https://doi.org/10.17188/1690946. https://www.osti.gov/servlets/purl/1690946. Pub date:Wed Apr 29 00:00:00 EDT 2020
@article{osti_1690946,
title = {Materials Data on Tb(Al5Re)2 by Materials Project},
author = {The Materials Project},
abstractNote = {TbRe2Al10 crystallizes in the orthorhombic Cmcm space group. The structure is three-dimensional. there are two inequivalent Tb sites. In the first Tb site, Tb is bonded in a 4-coordinate geometry to fourteen Al atoms. There are a spread of Tb–Al bond distances ranging from 3.11–3.31 Å. In the second Tb site, Tb is bonded in a 8-coordinate geometry to four equivalent Re and sixteen Al atoms. All Tb–Re bond lengths are 3.44 Å. There are a spread of Tb–Al bond distances ranging from 3.07–3.49 Å. Re is bonded in a 10-coordinate geometry to one Tb and ten Al atoms. There are a spread of Re–Al bond distances ranging from 2.55–2.79 Å. There are fourteen inequivalent Al sites. In the first Al site, Al is bonded in a distorted linear geometry to two equivalent Tb, two equivalent Re, and eight Al atoms. There are a spread of Al–Al bond distances ranging from 2.70–2.87 Å. In the second Al site, Al is bonded in a 12-coordinate geometry to one Tb, two equivalent Re, and seven Al atoms. There are a spread of Al–Al bond distances ranging from 2.67–3.04 Å. In the third Al site, Al is bonded in a 12-coordinate geometry to one Tb, two equivalent Re, and nine Al atoms. There are a spread of Al–Al bond distances ranging from 2.77–2.98 Å. In the fourth Al site, Al is bonded in a 12-coordinate geometry to one Tb, two equivalent Re, and nine Al atoms. Both Al–Re bond lengths are 2.68 Å. There are a spread of Al–Al bond distances ranging from 2.76–2.98 Å. In the fifth Al site, Al is bonded in a 12-coordinate geometry to one Tb, two equivalent Re, and nine Al atoms. The Al–Tb bond length is 3.27 Å. Both Al–Re bond lengths are 2.68 Å. There are a spread of Al–Al bond distances ranging from 2.76–2.98 Å. In the sixth Al site, Al is bonded in a 2-coordinate geometry to one Tb, two equivalent Re, and eight Al atoms. There are a spread of Al–Al bond distances ranging from 2.65–2.99 Å. In the seventh Al site, Al is bonded in a 2-coordinate geometry to two Tb, two equivalent Re, and eight Al atoms. There are a spread of Al–Al bond distances ranging from 2.76–2.91 Å. In the eighth Al site, Al is bonded in a 2-coordinate geometry to one Tb, two equivalent Re, and eight Al atoms. The Al–Al bond length is 2.63 Å. In the ninth Al site, Al is bonded in a 12-coordinate geometry to one Tb, two equivalent Re, and nine Al atoms. The Al–Tb bond length is 3.27 Å. Both Al–Re bond lengths are 2.68 Å. There are a spread of Al–Al bond distances ranging from 2.77–2.98 Å. In the tenth Al site, Al is bonded in a 12-coordinate geometry to one Tb, two equivalent Re, and nine Al atoms. The Al–Tb bond length is 3.27 Å. Both Al–Re bond lengths are 2.68 Å. There are a spread of Al–Al bond distances ranging from 2.76–2.98 Å. In the eleventh Al site, Al is bonded in a 12-coordinate geometry to one Tb, two equivalent Re, and nine Al atoms. The Al–Tb bond length is 3.27 Å. Both Al–Re bond lengths are 2.68 Å. There are a spread of Al–Al bond distances ranging from 2.76–2.98 Å. In the twelfth Al site, Al is bonded in a 12-coordinate geometry to one Tb, two equivalent Re, and seven Al atoms. There are one shorter (2.77 Å) and two longer (2.88 Å) Al–Al bond lengths. In the thirteenth Al site, Al is bonded in a 12-coordinate geometry to two Tb, two equivalent Re, and eight Al atoms. In the fourteenth Al site, Al is bonded in a 12-coordinate geometry to two Tb, two equivalent Re, and eight Al atoms. The Al–Al bond length is 2.73 Å.},
doi = {10.17188/1690946},
journal = {},
number = ,
volume = ,
place = {United States},
year = {Wed Apr 29 00:00:00 EDT 2020},
month = {Wed Apr 29 00:00:00 EDT 2020}
}
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