U.S. Department of EnergyOffice of Scientific and Technical Information
Materials Data on Yb2Fe17 by Materials Project
Abstract
Yb2Fe17 crystallizes in the hexagonal P6_3/mmc space group. The structure is three-dimensional. there are two inequivalent Yb sites. In the first Yb site, Yb is bonded in a 12-coordinate geometry to eighteen Fe atoms. There are a spread of Yb–Fe bond distances ranging from 3.00–3.30 Å. In the second Yb site, Yb is bonded in a 2-coordinate geometry to twenty Fe atoms. There are a spread of Yb–Fe bond distances ranging from 2.91–3.20 Å. There are four inequivalent Fe sites. In the first Fe site, Fe is bonded in a 2-coordinate geometry to one Yb and thirteen Fe atoms. There are a spread of Fe–Fe bond distances ranging from 2.42–2.75 Å. In the second Fe site, Fe is bonded to two equivalent Yb and ten Fe atoms to form FeYb2Fe10 cuboctahedra that share corners with fourteen FeYb2Fe10 cuboctahedra, edges with six equivalent FeYb3Fe9 cuboctahedra, and faces with ten FeYb2Fe10 cuboctahedra. There are four shorter (2.44 Å) and four longer (2.46 Å) Fe–Fe bond lengths. In the third Fe site, Fe is bonded in a 12-coordinate geometry to two Yb and ten Fe atoms. There are a spread of Fe–Fe bond distances ranging from 2.41–2.60 Å. In the fourth Fe site,more »
- Publication Date:
- Other Number(s):
- mp-1195706
- 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-Yb; Yb2Fe17; crystal structure
- OSTI Identifier:
- 1682203
- DOI:
- https://doi.org/10.17188/1682203
Citation Formats
Materials Data on Yb2Fe17 by Materials Project. United States: N. p., 2020.
Web. doi:10.17188/1682203.
Materials Data on Yb2Fe17 by Materials Project. United States. doi:https://doi.org/10.17188/1682203
2020.
"Materials Data on Yb2Fe17 by Materials Project". United States. doi:https://doi.org/10.17188/1682203. https://www.osti.gov/servlets/purl/1682203. Pub date:Fri Jun 05 00:00:00 EDT 2020
@article{osti_1682203,
title = {Materials Data on Yb2Fe17 by Materials Project},
abstractNote = {Yb2Fe17 crystallizes in the hexagonal P6_3/mmc space group. The structure is three-dimensional. there are two inequivalent Yb sites. In the first Yb site, Yb is bonded in a 12-coordinate geometry to eighteen Fe atoms. There are a spread of Yb–Fe bond distances ranging from 3.00–3.30 Å. In the second Yb site, Yb is bonded in a 2-coordinate geometry to twenty Fe atoms. There are a spread of Yb–Fe bond distances ranging from 2.91–3.20 Å. There are four inequivalent Fe sites. In the first Fe site, Fe is bonded in a 2-coordinate geometry to one Yb and thirteen Fe atoms. There are a spread of Fe–Fe bond distances ranging from 2.42–2.75 Å. In the second Fe site, Fe is bonded to two equivalent Yb and ten Fe atoms to form FeYb2Fe10 cuboctahedra that share corners with fourteen FeYb2Fe10 cuboctahedra, edges with six equivalent FeYb3Fe9 cuboctahedra, and faces with ten FeYb2Fe10 cuboctahedra. There are four shorter (2.44 Å) and four longer (2.46 Å) Fe–Fe bond lengths. In the third Fe site, Fe is bonded in a 12-coordinate geometry to two Yb and ten Fe atoms. There are a spread of Fe–Fe bond distances ranging from 2.41–2.60 Å. In the fourth Fe site, Fe is bonded to three Yb and nine Fe atoms to form a mixture of distorted edge, corner, and face-sharing FeYb3Fe9 cuboctahedra. Both Fe–Fe bond lengths are 2.46 Å.},
doi = {10.17188/1682203},
journal = {},
number = ,
volume = ,
place = {United States},
year = {2020},
month = {6}
}