Materials Data on NdFe5 by Materials Project
Abstract
NdFe5 crystallizes in the hexagonal P6/mmm space group. The structure is three-dimensional. Nd is bonded in a 6-coordinate geometry to eighteen Fe atoms. There are six shorter (2.97 Å) and twelve longer (3.24 Å) Nd–Fe bond lengths. There are two inequivalent Fe sites. In the first Fe site, Fe is bonded in a 12-coordinate geometry to three equivalent Nd and six equivalent Fe atoms. All Fe–Fe bond lengths are 2.47 Å. In the second Fe site, Fe is bonded to four equivalent Nd and eight Fe atoms to form a mixture of edge, face, and corner-sharing FeNd4Fe8 cuboctahedra. All Fe–Fe bond lengths are 2.57 Å.
- Authors:
- Publication Date:
- Other Number(s):
- mp-11382
- 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; NdFe5; Fe-Nd
- OSTI Identifier:
- 1187788
- DOI:
- https://doi.org/10.17188/1187788
Citation Formats
The Materials Project. Materials Data on NdFe5 by Materials Project. United States: N. p., 2020.
Web. doi:10.17188/1187788.
The Materials Project. Materials Data on NdFe5 by Materials Project. United States. doi:https://doi.org/10.17188/1187788
The Materials Project. 2020.
"Materials Data on NdFe5 by Materials Project". United States. doi:https://doi.org/10.17188/1187788. https://www.osti.gov/servlets/purl/1187788. Pub date:Thu Jul 16 00:00:00 EDT 2020
@article{osti_1187788,
title = {Materials Data on NdFe5 by Materials Project},
author = {The Materials Project},
abstractNote = {NdFe5 crystallizes in the hexagonal P6/mmm space group. The structure is three-dimensional. Nd is bonded in a 6-coordinate geometry to eighteen Fe atoms. There are six shorter (2.97 Å) and twelve longer (3.24 Å) Nd–Fe bond lengths. There are two inequivalent Fe sites. In the first Fe site, Fe is bonded in a 12-coordinate geometry to three equivalent Nd and six equivalent Fe atoms. All Fe–Fe bond lengths are 2.47 Å. In the second Fe site, Fe is bonded to four equivalent Nd and eight Fe atoms to form a mixture of edge, face, and corner-sharing FeNd4Fe8 cuboctahedra. All Fe–Fe bond lengths are 2.57 Å.},
doi = {10.17188/1187788},
journal = {},
number = ,
volume = ,
place = {United States},
year = {Thu Jul 16 00:00:00 EDT 2020},
month = {Thu Jul 16 00:00:00 EDT 2020}
}
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