U.S. Department of EnergyOffice of Scientific and Technical Information
Materials Data on Y(Al5Re)2 by Materials Project
Abstract
Y(ReAl5)2 crystallizes in the orthorhombic Cmcm space group. The structure is three-dimensional. there are two inequivalent Y sites. In the first Y site, Y is bonded in a 10-coordinate geometry to four Re and sixteen Al atoms. There are two shorter (3.40 Å) and two longer (3.52 Å) Y–Re bond lengths. There are a spread of Y–Al bond distances ranging from 3.06–3.50 Å. In the second Y site, Y is bonded in a 4-coordinate geometry to fourteen Al atoms. There are a spread of Y–Al bond distances ranging from 3.07–3.28 Å. There are two inequivalent Re sites. In the first Re site, Re is bonded in a 10-coordinate geometry to one Y 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 Y 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 Y, two equivalent Re, and four Al atoms. There are two shorter (2.74 Å) and two longer (3.07 Å)more »
- Authors:
- Publication Date:
- Other Number(s):
- mp-1207859
- 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; Y(Al5Re)2; Al-Re-Y
- OSTI Identifier:
- 1722076
- DOI:
- https://doi.org/10.17188/1722076
Citation Formats
The Materials Project. Materials Data on Y(Al5Re)2 by Materials Project. United States: N. p., 2020.
Web. doi:10.17188/1722076.
The Materials Project. Materials Data on Y(Al5Re)2 by Materials Project. United States. doi:https://doi.org/10.17188/1722076
The Materials Project. 2020.
"Materials Data on Y(Al5Re)2 by Materials Project". United States. doi:https://doi.org/10.17188/1722076. https://www.osti.gov/servlets/purl/1722076. Pub date:Thu Apr 30 00:00:00 EDT 2020
@article{osti_1722076,
title = {Materials Data on Y(Al5Re)2 by Materials Project},
author = {The Materials Project},
abstractNote = {Y(ReAl5)2 crystallizes in the orthorhombic Cmcm space group. The structure is three-dimensional. there are two inequivalent Y sites. In the first Y site, Y is bonded in a 10-coordinate geometry to four Re and sixteen Al atoms. There are two shorter (3.40 Å) and two longer (3.52 Å) Y–Re bond lengths. There are a spread of Y–Al bond distances ranging from 3.06–3.50 Å. In the second Y site, Y is bonded in a 4-coordinate geometry to fourteen Al atoms. There are a spread of Y–Al bond distances ranging from 3.07–3.28 Å. There are two inequivalent Re sites. In the first Re site, Re is bonded in a 10-coordinate geometry to one Y 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 Y 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 Y, two equivalent Re, and four Al atoms. There are two shorter (2.74 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 Y, two equivalent Re, and nine Al atoms. There are a spread of Al–Al bond distances ranging from 2.66–3.14 Å. In the third Al site, Al is bonded in a 2-coordinate geometry to two equivalent Y, two equivalent Re, and eight Al atoms. There are a spread of Al–Al bond distances ranging from 2.67–3.05 Å. In the fourth Al site, Al is bonded in a 2-coordinate geometry to one Y, 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 Y, two equivalent Re, and eight Al atoms. There are a spread of Al–Al bond distances ranging from 2.62–3.00 Å. In the sixth Al site, Al is bonded in a 2-coordinate geometry to two Y, two equivalent Re, and six Al atoms. There are a spread of Al–Al bond distances ranging from 2.66–2.96 Å. In the seventh Al site, Al is bonded in a 2-coordinate geometry to one Y, two equivalent Re, and eight Al atoms. There are two shorter (2.77 Å) and two longer (3.04 Å) Al–Al bond lengths. In the eighth Al site, Al is bonded in a 12-coordinate geometry to one Y, two equivalent Re, and nine Al atoms. There are a spread of Al–Al bond distances ranging from 2.67–2.89 Å. In the ninth Al site, Al is bonded in a 12-coordinate geometry to two Y, two equivalent Re, and eight Al atoms. The Al–Al bond length is 2.70 Å. In the tenth Al site, Al is bonded in a 11-coordinate geometry to one Y, two equivalent Re, and eight Al atoms. Both Al–Al bond lengths are 2.97 Å. In the eleventh Al site, Al is bonded in a distorted linear geometry to two equivalent Y, two Re, and four Al atoms. In the twelfth Al site, Al is bonded in a 2-coordinate geometry to one Y, two Re, and four Al atoms.},
doi = {10.17188/1722076},
journal = {},
number = ,
volume = ,
place = {United States},
year = {Thu Apr 30 00:00:00 EDT 2020},
month = {Thu Apr 30 00:00:00 EDT 2020}
}