U.S. Department of EnergyOffice of Scientific and Technical Information
Materials Data on Gd(Al10Cr)2 by Materials Project
Abstract
GdCr2Al20 crystallizes in the cubic Fd-3m space group. The structure is three-dimensional. Gd is bonded in a 4-coordinate geometry to sixteen Al atoms. There are four shorter (3.13 Å) and twelve longer (3.21 Å) Gd–Al bond lengths. Cr is bonded to twelve Al atoms to form CrAl12 cuboctahedra that share corners with six equivalent CrAl12 cuboctahedra, edges with eighteen equivalent AlGdAl10Cr cuboctahedra, and faces with six equivalent AlGdAl10Cr cuboctahedra. There are six shorter (2.56 Å) and six longer (2.78 Å) Cr–Al bond lengths. There are three inequivalent Al sites. In the first Al site, Al is bonded in a 12-coordinate geometry to two equivalent Cr and ten Al atoms. There are a spread of Al–Al bond distances ranging from 2.71–2.82 Å. In the second Al site, Al is bonded to one Gd, one Cr, and ten Al atoms to form distorted AlGdAl10Cr cuboctahedra that share corners with fifteen equivalent AlGdAl10Cr cuboctahedra, edges with two equivalent AlGdAl10Cr cuboctahedra, edges with three equivalent CrAl12 cuboctahedra, a faceface with one CrAl12 cuboctahedra, and faces with fifteen equivalent AlGdAl10Cr cuboctahedra. There are a spread of Al–Al bond distances ranging from 2.72–3.10 Å. In the third Al site, Al is bonded in a distorted linearmore »
- Authors:
- Publication Date:
- Other Number(s):
- mp-643271
- 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; Gd(Al10Cr)2; Al-Cr-Gd
- OSTI Identifier:
- 1280284
- DOI:
- https://doi.org/10.17188/1280284
Citation Formats
The Materials Project. Materials Data on Gd(Al10Cr)2 by Materials Project. United States: N. p., 2020.
Web. doi:10.17188/1280284.
The Materials Project. Materials Data on Gd(Al10Cr)2 by Materials Project. United States. doi:https://doi.org/10.17188/1280284
The Materials Project. 2020.
"Materials Data on Gd(Al10Cr)2 by Materials Project". United States. doi:https://doi.org/10.17188/1280284. https://www.osti.gov/servlets/purl/1280284. Pub date:Fri Jun 05 00:00:00 EDT 2020
@article{osti_1280284,
title = {Materials Data on Gd(Al10Cr)2 by Materials Project},
author = {The Materials Project},
abstractNote = {GdCr2Al20 crystallizes in the cubic Fd-3m space group. The structure is three-dimensional. Gd is bonded in a 4-coordinate geometry to sixteen Al atoms. There are four shorter (3.13 Å) and twelve longer (3.21 Å) Gd–Al bond lengths. Cr is bonded to twelve Al atoms to form CrAl12 cuboctahedra that share corners with six equivalent CrAl12 cuboctahedra, edges with eighteen equivalent AlGdAl10Cr cuboctahedra, and faces with six equivalent AlGdAl10Cr cuboctahedra. There are six shorter (2.56 Å) and six longer (2.78 Å) Cr–Al bond lengths. There are three inequivalent Al sites. In the first Al site, Al is bonded in a 12-coordinate geometry to two equivalent Cr and ten Al atoms. There are a spread of Al–Al bond distances ranging from 2.71–2.82 Å. In the second Al site, Al is bonded to one Gd, one Cr, and ten Al atoms to form distorted AlGdAl10Cr cuboctahedra that share corners with fifteen equivalent AlGdAl10Cr cuboctahedra, edges with two equivalent AlGdAl10Cr cuboctahedra, edges with three equivalent CrAl12 cuboctahedra, a faceface with one CrAl12 cuboctahedra, and faces with fifteen equivalent AlGdAl10Cr cuboctahedra. There are a spread of Al–Al bond distances ranging from 2.72–3.10 Å. In the third Al site, Al is bonded in a distorted linear geometry to two equivalent Gd and twelve equivalent Al atoms.},
doi = {10.17188/1280284},
journal = {},
number = ,
volume = ,
place = {United States},
year = {Fri Jun 05 00:00:00 EDT 2020},
month = {Fri Jun 05 00:00:00 EDT 2020}
}