U.S. Department of EnergyOffice of Scientific and Technical Information
Materials Data on Nd2FeSb4 by Materials Project
Abstract
Nd2FeSb4 crystallizes in the tetragonal P-4m2 space group. The structure is three-dimensional. Nd3+ is bonded in a 9-coordinate geometry to nine Sb+2.25- atoms. There are a spread of Nd–Sb bond distances ranging from 3.32–3.48 Å. Fe3+ is bonded to four equivalent Sb+2.25- atoms to form corner-sharing FeSb4 tetrahedra. All Fe–Sb bond lengths are 2.51 Å. There are two inequivalent Sb+2.25- sites. In the first Sb+2.25- site, Sb+2.25- is bonded in a 2-coordinate geometry to five equivalent Nd3+ and two equivalent Fe3+ atoms. In the second Sb+2.25- site, Sb+2.25- is bonded in a 8-coordinate geometry to four equivalent Nd3+ and four equivalent Sb+2.25- atoms. All Sb–Sb bond lengths are 3.13 Å.
- Publication Date:
- Other Number(s):
- mp-1220376
- 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-Nd-Sb; Nd2FeSb4; crystal structure
- OSTI Identifier:
- 1699898
- DOI:
- https://doi.org/10.17188/1699898
Citation Formats
Materials Data on Nd2FeSb4 by Materials Project. United States: N. p., 2020.
Web. doi:10.17188/1699898.
Materials Data on Nd2FeSb4 by Materials Project. United States. doi:https://doi.org/10.17188/1699898
2020.
"Materials Data on Nd2FeSb4 by Materials Project". United States. doi:https://doi.org/10.17188/1699898. https://www.osti.gov/servlets/purl/1699898. Pub date:Sun May 03 00:00:00 EDT 2020
@article{osti_1699898,
title = {Materials Data on Nd2FeSb4 by Materials Project},
abstractNote = {Nd2FeSb4 crystallizes in the tetragonal P-4m2 space group. The structure is three-dimensional. Nd3+ is bonded in a 9-coordinate geometry to nine Sb+2.25- atoms. There are a spread of Nd–Sb bond distances ranging from 3.32–3.48 Å. Fe3+ is bonded to four equivalent Sb+2.25- atoms to form corner-sharing FeSb4 tetrahedra. All Fe–Sb bond lengths are 2.51 Å. There are two inequivalent Sb+2.25- sites. In the first Sb+2.25- site, Sb+2.25- is bonded in a 2-coordinate geometry to five equivalent Nd3+ and two equivalent Fe3+ atoms. In the second Sb+2.25- site, Sb+2.25- is bonded in a 8-coordinate geometry to four equivalent Nd3+ and four equivalent Sb+2.25- atoms. All Sb–Sb bond lengths are 3.13 Å.},
doi = {10.17188/1699898},
journal = {},
number = ,
volume = ,
place = {United States},
year = {2020},
month = {5}
}
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