U.S. Department of EnergyOffice of Scientific and Technical Information
Materials Data on Er(AlFe2)4 by Materials Project
Abstract
Er(Fe2Al)4 crystallizes in the tetragonal I4/mmm space group. The structure is three-dimensional. Er is bonded in a 12-coordinate geometry to sixteen Fe and four equivalent Al atoms. There are eight shorter (3.15 Å) and eight longer (3.25 Å) Er–Fe bond lengths. All Er–Al bond lengths are 2.92 Å. There are two inequivalent Fe sites. In the first Fe site, Fe is bonded to two equivalent Er, six Fe, and four equivalent Al atoms to form a mixture of distorted edge, corner, and face-sharing FeEr2Al4Fe6 cuboctahedra. There are four shorter (2.46 Å) and two longer (2.47 Å) Fe–Fe bond lengths. All Fe–Al bond lengths are 2.58 Å. In the second Fe site, Fe is bonded to two equivalent Er, six Fe, and four equivalent Al atoms to form a mixture of distorted edge, corner, and face-sharing FeEr2Al4Fe6 cuboctahedra. Both Fe–Fe bond lengths are 2.76 Å. There are two shorter (2.65 Å) and two longer (2.66 Å) Fe–Al bond lengths. Al is bonded in a 10-coordinate geometry to one Er, eight Fe, and one Al atom. The Al–Al bond length is 2.64 Å.
- Publication Date:
- Other Number(s):
- mp-1212817
- DOE Contract Number:
- AC02-05CH11231
- Research Org.:
- LBNL Materials Project; Lawrence Berkeley National Laboratory (LBNL), Berkeley, CA (United States)
- Sponsoring Org.:
- USDOE Office of Science (SC), Basic Energy Sciences (BES) (SC-22)
- Collaborations:
- The Materials Project; MIT; UC Berkeley; Duke; U Louvain
- Subject:
- 36 MATERIALS SCIENCE; Al-Er-Fe; Er(AlFe2)4; crystal structure
- OSTI Identifier:
- 1685571
- DOI:
- https://doi.org/10.17188/1685571
Citation Formats
Materials Data on Er(AlFe2)4 by Materials Project. United States: N. p., 2019.
Web. doi:10.17188/1685571.
Materials Data on Er(AlFe2)4 by Materials Project. United States. doi:https://doi.org/10.17188/1685571
2019.
"Materials Data on Er(AlFe2)4 by Materials Project". United States. doi:https://doi.org/10.17188/1685571. https://www.osti.gov/servlets/purl/1685571. Pub date:Fri Jan 11 23:00:00 EST 2019
@article{osti_1685571,
title = {Materials Data on Er(AlFe2)4 by Materials Project},
abstractNote = {Er(Fe2Al)4 crystallizes in the tetragonal I4/mmm space group. The structure is three-dimensional. Er is bonded in a 12-coordinate geometry to sixteen Fe and four equivalent Al atoms. There are eight shorter (3.15 Å) and eight longer (3.25 Å) Er–Fe bond lengths. All Er–Al bond lengths are 2.92 Å. There are two inequivalent Fe sites. In the first Fe site, Fe is bonded to two equivalent Er, six Fe, and four equivalent Al atoms to form a mixture of distorted edge, corner, and face-sharing FeEr2Al4Fe6 cuboctahedra. There are four shorter (2.46 Å) and two longer (2.47 Å) Fe–Fe bond lengths. All Fe–Al bond lengths are 2.58 Å. In the second Fe site, Fe is bonded to two equivalent Er, six Fe, and four equivalent Al atoms to form a mixture of distorted edge, corner, and face-sharing FeEr2Al4Fe6 cuboctahedra. Both Fe–Fe bond lengths are 2.76 Å. There are two shorter (2.65 Å) and two longer (2.66 Å) Fe–Al bond lengths. Al is bonded in a 10-coordinate geometry to one Er, eight Fe, and one Al atom. The Al–Al bond length is 2.64 Å.},
doi = {10.17188/1685571},
journal = {},
number = ,
volume = ,
place = {United States},
year = {2019},
month = {1}
}