Materials Data on Yb(Al2Cr)4 by Materials Project
Abstract
YbCr4Al8 crystallizes in the tetragonal I4/mmm space group. The structure is three-dimensional. Yb is bonded in a 12-coordinate geometry to eight equivalent Cr and twelve Al atoms. All Yb–Cr bond lengths are 3.41 Å. There are four shorter (3.01 Å) and eight longer (3.26 Å) Yb–Al bond lengths. Cr is bonded to two equivalent Yb, two equivalent Cr, and eight Al atoms to form distorted CrYb2Al8Cr2 cuboctahedra that share corners with eight equivalent AlYb2Al6Cr4 cuboctahedra, corners with ten equivalent CrYb2Al8Cr2 cuboctahedra, edges with four equivalent CrYb2Al8Cr2 cuboctahedra, edges with four equivalent AlYb2Al6Cr4 cuboctahedra, faces with six equivalent CrYb2Al8Cr2 cuboctahedra, and faces with eight equivalent AlYb2Al6Cr4 cuboctahedra. Both Cr–Cr bond lengths are 2.53 Å. There are four shorter (2.58 Å) and four longer (2.69 Å) Cr–Al bond lengths. There are two inequivalent Al sites. In the first Al site, Al is bonded in a 10-coordinate geometry to one Yb, four equivalent Cr, and five Al atoms. There are a spread of Al–Al bond distances ranging from 2.71–2.94 Å. In the second Al site, Al is bonded to two equivalent Yb, four equivalent Cr, and six Al atoms to form distorted AlYb2Al6Cr4 cuboctahedra that share corners with eight equivalent CrYb2Al8Cr2 cuboctahedra, cornersmore »
- Authors:
- Publication Date:
- Other Number(s):
- mp-1104883
- 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; Yb(Al2Cr)4; Al-Cr-Yb
- OSTI Identifier:
- 1715690
- DOI:
- https://doi.org/10.17188/1715690
Citation Formats
The Materials Project. Materials Data on Yb(Al2Cr)4 by Materials Project. United States: N. p., 2018.
Web. doi:10.17188/1715690.
The Materials Project. Materials Data on Yb(Al2Cr)4 by Materials Project. United States. doi:https://doi.org/10.17188/1715690
The Materials Project. 2018.
"Materials Data on Yb(Al2Cr)4 by Materials Project". United States. doi:https://doi.org/10.17188/1715690. https://www.osti.gov/servlets/purl/1715690. Pub date:Thu Jul 19 00:00:00 EDT 2018
@article{osti_1715690,
title = {Materials Data on Yb(Al2Cr)4 by Materials Project},
author = {The Materials Project},
abstractNote = {YbCr4Al8 crystallizes in the tetragonal I4/mmm space group. The structure is three-dimensional. Yb is bonded in a 12-coordinate geometry to eight equivalent Cr and twelve Al atoms. All Yb–Cr bond lengths are 3.41 Å. There are four shorter (3.01 Å) and eight longer (3.26 Å) Yb–Al bond lengths. Cr is bonded to two equivalent Yb, two equivalent Cr, and eight Al atoms to form distorted CrYb2Al8Cr2 cuboctahedra that share corners with eight equivalent AlYb2Al6Cr4 cuboctahedra, corners with ten equivalent CrYb2Al8Cr2 cuboctahedra, edges with four equivalent CrYb2Al8Cr2 cuboctahedra, edges with four equivalent AlYb2Al6Cr4 cuboctahedra, faces with six equivalent CrYb2Al8Cr2 cuboctahedra, and faces with eight equivalent AlYb2Al6Cr4 cuboctahedra. Both Cr–Cr bond lengths are 2.53 Å. There are four shorter (2.58 Å) and four longer (2.69 Å) Cr–Al bond lengths. There are two inequivalent Al sites. In the first Al site, Al is bonded in a 10-coordinate geometry to one Yb, four equivalent Cr, and five Al atoms. There are a spread of Al–Al bond distances ranging from 2.71–2.94 Å. In the second Al site, Al is bonded to two equivalent Yb, four equivalent Cr, and six Al atoms to form distorted AlYb2Al6Cr4 cuboctahedra that share corners with eight equivalent CrYb2Al8Cr2 cuboctahedra, corners with ten equivalent AlYb2Al6Cr4 cuboctahedra, edges with three equivalent AlYb2Al6Cr4 cuboctahedra, edges with four equivalent CrYb2Al8Cr2 cuboctahedra, faces with seven equivalent AlYb2Al6Cr4 cuboctahedra, and faces with eight equivalent CrYb2Al8Cr2 cuboctahedra. Both Al–Al bond lengths are 2.90 Å.},
doi = {10.17188/1715690},
journal = {},
number = ,
volume = ,
place = {United States},
year = {Thu Jul 19 00:00:00 EDT 2018},
month = {Thu Jul 19 00:00:00 EDT 2018}
}