U.S. Department of EnergyOffice of Scientific and Technical Information
Materials Data on Gd6Fe23 by Materials Project
Abstract
Gd6Fe23 crystallizes in the cubic Fm-3m space group. The structure is three-dimensional. Gd is bonded in a 12-coordinate geometry to twelve Fe atoms. There are a spread of Gd–Fe bond distances ranging from 2.85–3.03 Å. There are four inequivalent Fe sites. In the first Fe site, Fe is bonded in a distorted q6 geometry to three equivalent Gd and nine Fe atoms. There are a spread of Fe–Fe bond distances ranging from 2.32–2.51 Å. In the second Fe site, Fe is bonded in a body-centered cubic geometry to eight equivalent Fe atoms. All Fe–Fe bond lengths are 2.50 Å. In the third Fe site, Fe is bonded to four equivalent Gd and eight Fe atoms to form a mixture of face and corner-sharing FeGd4Fe8 cuboctahedra. All Fe–Fe bond lengths are 2.57 Å. In the fourth Fe site, Fe is bonded in a 10-coordinate geometry to three equivalent Gd and ten Fe atoms. All Fe–Fe bond lengths are 2.89 Å.
- Publication Date:
- Other Number(s):
- mp-1194558
- 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; Fe-Gd; Gd6Fe23; crystal structure
- OSTI Identifier:
- 1749664
- DOI:
- https://doi.org/10.17188/1749664
Citation Formats
Materials Data on Gd6Fe23 by Materials Project. United States: N. p., 2020.
Web. doi:10.17188/1749664.
Materials Data on Gd6Fe23 by Materials Project. United States. doi:https://doi.org/10.17188/1749664
2020.
"Materials Data on Gd6Fe23 by Materials Project". United States. doi:https://doi.org/10.17188/1749664. https://www.osti.gov/servlets/purl/1749664. Pub date:Fri Jun 05 00:00:00 EDT 2020
@article{osti_1749664,
title = {Materials Data on Gd6Fe23 by Materials Project},
abstractNote = {Gd6Fe23 crystallizes in the cubic Fm-3m space group. The structure is three-dimensional. Gd is bonded in a 12-coordinate geometry to twelve Fe atoms. There are a spread of Gd–Fe bond distances ranging from 2.85–3.03 Å. There are four inequivalent Fe sites. In the first Fe site, Fe is bonded in a distorted q6 geometry to three equivalent Gd and nine Fe atoms. There are a spread of Fe–Fe bond distances ranging from 2.32–2.51 Å. In the second Fe site, Fe is bonded in a body-centered cubic geometry to eight equivalent Fe atoms. All Fe–Fe bond lengths are 2.50 Å. In the third Fe site, Fe is bonded to four equivalent Gd and eight Fe atoms to form a mixture of face and corner-sharing FeGd4Fe8 cuboctahedra. All Fe–Fe bond lengths are 2.57 Å. In the fourth Fe site, Fe is bonded in a 10-coordinate geometry to three equivalent Gd and ten Fe atoms. All Fe–Fe bond lengths are 2.89 Å.},
doi = {10.17188/1749664},
journal = {},
number = ,
volume = ,
place = {United States},
year = {2020},
month = {6}
}