Materials Data on Th2Fe17 by Materials Project
Abstract
Th2Fe17 crystallizes in the trigonal R-3m space group. The structure is three-dimensional. Th is bonded in a 10-coordinate geometry to nineteen Fe atoms. There are a spread of Th–Fe bond distances ranging from 3.04–3.29 Å. There are four inequivalent Fe sites. In the first Fe site, Fe is bonded to two equivalent Th and ten Fe atoms to form a mixture of edge, corner, and face-sharing FeTh2Fe10 cuboctahedra. There are a spread of Fe–Fe bond distances ranging from 2.45–2.62 Å. In the second Fe site, Fe is bonded to two equivalent Th and ten Fe atoms to form a mixture of distorted edge, corner, and face-sharing FeTh2Fe10 cuboctahedra. There are a spread of Fe–Fe bond distances ranging from 2.47–2.75 Å. In the third Fe site, Fe is bonded to three equivalent Th and nine Fe atoms to form a mixture of edge, corner, and face-sharing FeTh3Fe9 cuboctahedra. There are two shorter (2.48 Å) and one longer (2.65 Å) Fe–Fe bond lengths. In the fourth Fe site, Fe is bonded in a 2-coordinate geometry to one Th and thirteen Fe atoms. The Fe–Fe bond length is 2.40 Å.
- Authors:
- Publication Date:
- Other Number(s):
- mp-843
- 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; Th2Fe17; Fe-Th
- OSTI Identifier:
- 1308098
- DOI:
- https://doi.org/10.17188/1308098
Citation Formats
The Materials Project. Materials Data on Th2Fe17 by Materials Project. United States: N. p., 2020.
Web. doi:10.17188/1308098.
The Materials Project. Materials Data on Th2Fe17 by Materials Project. United States. doi:https://doi.org/10.17188/1308098
The Materials Project. 2020.
"Materials Data on Th2Fe17 by Materials Project". United States. doi:https://doi.org/10.17188/1308098. https://www.osti.gov/servlets/purl/1308098. Pub date:Thu Jul 16 00:00:00 EDT 2020
@article{osti_1308098,
title = {Materials Data on Th2Fe17 by Materials Project},
author = {The Materials Project},
abstractNote = {Th2Fe17 crystallizes in the trigonal R-3m space group. The structure is three-dimensional. Th is bonded in a 10-coordinate geometry to nineteen Fe atoms. There are a spread of Th–Fe bond distances ranging from 3.04–3.29 Å. There are four inequivalent Fe sites. In the first Fe site, Fe is bonded to two equivalent Th and ten Fe atoms to form a mixture of edge, corner, and face-sharing FeTh2Fe10 cuboctahedra. There are a spread of Fe–Fe bond distances ranging from 2.45–2.62 Å. In the second Fe site, Fe is bonded to two equivalent Th and ten Fe atoms to form a mixture of distorted edge, corner, and face-sharing FeTh2Fe10 cuboctahedra. There are a spread of Fe–Fe bond distances ranging from 2.47–2.75 Å. In the third Fe site, Fe is bonded to three equivalent Th and nine Fe atoms to form a mixture of edge, corner, and face-sharing FeTh3Fe9 cuboctahedra. There are two shorter (2.48 Å) and one longer (2.65 Å) Fe–Fe bond lengths. In the fourth Fe site, Fe is bonded in a 2-coordinate geometry to one Th and thirteen Fe atoms. The Fe–Fe bond length is 2.40 Å.},
doi = {10.17188/1308098},
journal = {},
number = ,
volume = ,
place = {United States},
year = {Thu Jul 16 00:00:00 EDT 2020},
month = {Thu Jul 16 00:00:00 EDT 2020}
}