U.S. Department of EnergyOffice of Scientific and Technical Information
Materials Data on Tm(Al5Re)2 by Materials Project
Abstract
Tm(ReAl5)2 crystallizes in the orthorhombic Cmcm space group. The structure is three-dimensional. there are two inequivalent Tm sites. In the first Tm site, Tm is bonded in a 10-coordinate geometry to four Re and sixteen Al atoms. There are two shorter (3.39 Å) and two longer (3.51 Å) Tm–Re bond lengths. There are a spread of Tm–Al bond distances ranging from 3.05–3.50 Å. In the second Tm site, Tm is bonded in a 4-coordinate geometry to fourteen Al atoms. There are a spread of Tm–Al bond distances ranging from 3.04–3.28 Å. There are two inequivalent Re sites. In the first Re site, Re is bonded in a 10-coordinate geometry to one Tm and ten Al atoms. There are a spread of Re–Al bond distances ranging from 2.55–2.79 Å. In the second Re site, Re is bonded in a 10-coordinate geometry to two equivalent Tm and ten Al atoms. There are a spread of Re–Al bond distances ranging from 2.57–2.74 Å. There are twelve inequivalent Al sites. In the first Al site, Al is bonded in a 2-coordinate geometry to two equivalent Tm, two equivalent Re, and four Al atoms. There are two shorter (2.72 Å) and two longer (3.07 Å)more »
- Authors:
- Publication Date:
- Other Number(s):
- mp-1208145
- 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; Tm(Al5Re)2; Al-Re-Tm
- OSTI Identifier:
- 1700856
- DOI:
- https://doi.org/10.17188/1700856
Citation Formats
The Materials Project. Materials Data on Tm(Al5Re)2 by Materials Project. United States: N. p., 2020.
Web. doi:10.17188/1700856.
The Materials Project. Materials Data on Tm(Al5Re)2 by Materials Project. United States. doi:https://doi.org/10.17188/1700856
The Materials Project. 2020.
"Materials Data on Tm(Al5Re)2 by Materials Project". United States. doi:https://doi.org/10.17188/1700856. https://www.osti.gov/servlets/purl/1700856. Pub date:Sat May 02 00:00:00 EDT 2020
@article{osti_1700856,
title = {Materials Data on Tm(Al5Re)2 by Materials Project},
author = {The Materials Project},
abstractNote = {Tm(ReAl5)2 crystallizes in the orthorhombic Cmcm space group. The structure is three-dimensional. there are two inequivalent Tm sites. In the first Tm site, Tm is bonded in a 10-coordinate geometry to four Re and sixteen Al atoms. There are two shorter (3.39 Å) and two longer (3.51 Å) Tm–Re bond lengths. There are a spread of Tm–Al bond distances ranging from 3.05–3.50 Å. In the second Tm site, Tm is bonded in a 4-coordinate geometry to fourteen Al atoms. There are a spread of Tm–Al bond distances ranging from 3.04–3.28 Å. There are two inequivalent Re sites. In the first Re site, Re is bonded in a 10-coordinate geometry to one Tm and ten Al atoms. There are a spread of Re–Al bond distances ranging from 2.55–2.79 Å. In the second Re site, Re is bonded in a 10-coordinate geometry to two equivalent Tm and ten Al atoms. There are a spread of Re–Al bond distances ranging from 2.57–2.74 Å. There are twelve inequivalent Al sites. In the first Al site, Al is bonded in a 2-coordinate geometry to two equivalent Tm, two equivalent Re, and four Al atoms. There are two shorter (2.72 Å) and two longer (3.07 Å) Al–Al bond lengths. In the second Al site, Al is bonded in a 12-coordinate geometry to one Tm, two equivalent Re, and nine Al atoms. There are a spread of Al–Al bond distances ranging from 2.65–3.13 Å. In the third Al site, Al is bonded in a 2-coordinate geometry to two equivalent Tm, two equivalent Re, and eight Al atoms. There are a spread of Al–Al bond distances ranging from 2.66–3.04 Å. In the fourth Al site, Al is bonded in a 2-coordinate geometry to one Tm, two equivalent Re, and nine Al atoms. There are a spread of Al–Al bond distances ranging from 2.80–3.10 Å. In the fifth Al site, Al is bonded in a 12-coordinate geometry to two Tm, two equivalent Re, and eight Al atoms. There are a spread of Al–Al bond distances ranging from 2.63–3.03 Å. In the sixth Al site, Al is bonded in a 2-coordinate geometry to two Tm, two equivalent Re, and six Al atoms. There are a spread of Al–Al bond distances ranging from 2.66–2.97 Å. In the seventh Al site, Al is bonded in a 2-coordinate geometry to one Tm, two equivalent Re, and eight Al atoms. There are two shorter (2.75 Å) and two longer (3.05 Å) Al–Al bond lengths. In the eighth Al site, Al is bonded in a 12-coordinate geometry to one Tm, two equivalent Re, and nine Al atoms. There are two shorter (2.68 Å) and two longer (2.89 Å) Al–Al bond lengths. In the ninth Al site, Al is bonded in a 2-coordinate geometry to two Tm, two equivalent Re, and eight Al atoms. The Al–Al bond length is 2.71 Å. In the tenth Al site, Al is bonded in a 11-coordinate geometry to one Tm, two equivalent Re, and eight Al atoms. Both Al–Al bond lengths are 2.96 Å. In the eleventh Al site, Al is bonded in a distorted linear geometry to two equivalent Tm, two Re, and four Al atoms. In the twelfth Al site, Al is bonded in a 2-coordinate geometry to one Tm, two Re, and four Al atoms.},
doi = {10.17188/1700856},
journal = {},
number = ,
volume = ,
place = {United States},
year = {Sat May 02 00:00:00 EDT 2020},
month = {Sat May 02 00:00:00 EDT 2020}
}