Materials Data on ErFe2 by Materials Project
Abstract
ErFe2 is Hexagonal Laves structured and crystallizes in the hexagonal P6_3/mmc space group. The structure is three-dimensional. Er is bonded in a 12-coordinate geometry to twelve Fe atoms. There are a spread of Er–Fe bond distances ranging from 2.99–3.01 Å. There are two inequivalent Fe sites. In the first Fe site, Fe is bonded to six equivalent Er and six equivalent Fe atoms to form a mixture of corner, edge, and face-sharing FeEr6Fe6 cuboctahedra. All Fe–Fe bond lengths are 2.54 Å. In the second Fe site, Fe is bonded to six equivalent Er and six Fe atoms to form a mixture of corner, edge, and face-sharing FeEr6Fe6 cuboctahedra. There are two shorter (2.55 Å) and two longer (2.58 Å) Fe–Fe bond lengths.
- Authors:
- Publication Date:
- Other Number(s):
- mp-1102680
- 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; ErFe2; Er-Fe
- OSTI Identifier:
- 1676586
- DOI:
- https://doi.org/10.17188/1676586
Citation Formats
The Materials Project. Materials Data on ErFe2 by Materials Project. United States: N. p., 2018.
Web. doi:10.17188/1676586.
The Materials Project. Materials Data on ErFe2 by Materials Project. United States. doi:https://doi.org/10.17188/1676586
The Materials Project. 2018.
"Materials Data on ErFe2 by Materials Project". United States. doi:https://doi.org/10.17188/1676586. https://www.osti.gov/servlets/purl/1676586. Pub date:Wed Jul 18 00:00:00 EDT 2018
@article{osti_1676586,
title = {Materials Data on ErFe2 by Materials Project},
author = {The Materials Project},
abstractNote = {ErFe2 is Hexagonal Laves structured and crystallizes in the hexagonal P6_3/mmc space group. The structure is three-dimensional. Er is bonded in a 12-coordinate geometry to twelve Fe atoms. There are a spread of Er–Fe bond distances ranging from 2.99–3.01 Å. There are two inequivalent Fe sites. In the first Fe site, Fe is bonded to six equivalent Er and six equivalent Fe atoms to form a mixture of corner, edge, and face-sharing FeEr6Fe6 cuboctahedra. All Fe–Fe bond lengths are 2.54 Å. In the second Fe site, Fe is bonded to six equivalent Er and six Fe atoms to form a mixture of corner, edge, and face-sharing FeEr6Fe6 cuboctahedra. There are two shorter (2.55 Å) and two longer (2.58 Å) Fe–Fe bond lengths.},
doi = {10.17188/1676586},
journal = {},
number = ,
volume = ,
place = {United States},
year = {2018},
month = {7}
}
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