U.S. Department of EnergyOffice of Scientific and Technical Information
Materials Data on Tb2Fe4Si9 by Materials Project
Abstract
Tb2Fe4Si9 crystallizes in the trigonal P-3m1 space group. The structure is three-dimensional. Tb4+ is bonded in a 6-coordinate geometry to eight Si+2.22- atoms. There are a spread of Tb–Si bond distances ranging from 2.88–3.19 Å. There are two inequivalent Fe3+ sites. In the first Fe3+ site, Fe3+ is bonded in a 10-coordinate geometry to ten Si+2.22- atoms. There are a spread of Fe–Si bond distances ranging from 2.31–2.69 Å. In the second Fe3+ site, Fe3+ is bonded to seven Si+2.22- atoms to form distorted edge-sharing FeSi7 hexagonal pyramids. There are a spread of Fe–Si bond distances ranging from 2.31–2.47 Å. There are five inequivalent Si+2.22- sites. In the first Si+2.22- site, Si+2.22- is bonded in a 11-coordinate geometry to one Tb4+, four equivalent Fe3+, and six Si+2.22- atoms. There are three shorter (2.51 Å) and three longer (2.65 Å) Si–Si bond lengths. In the second Si+2.22- site, Si+2.22- is bonded in a 4-coordinate geometry to one Tb4+, four equivalent Fe3+, and six Si+2.22- atoms. There are three shorter (2.65 Å) and three longer (2.67 Å) Si–Si bond lengths. In the third Si+2.22- site, Si+2.22- is bonded in a 10-coordinate geometry to three equivalent Tb4+, three equivalent Fe3+, and four Si+2.22-more »
- Publication Date:
- Other Number(s):
- mp-1217719
- 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-Si-Tb; Tb2Fe4Si9; crystal structure
- OSTI Identifier:
- 1744945
- DOI:
- https://doi.org/10.17188/1744945
Citation Formats
Materials Data on Tb2Fe4Si9 by Materials Project. United States: N. p., 2020.
Web. doi:10.17188/1744945.
Materials Data on Tb2Fe4Si9 by Materials Project. United States. doi:https://doi.org/10.17188/1744945
2020.
"Materials Data on Tb2Fe4Si9 by Materials Project". United States. doi:https://doi.org/10.17188/1744945. https://www.osti.gov/servlets/purl/1744945. Pub date:Sun May 03 04:00:00 UTC 2020
@article{osti_1744945,
title = {Materials Data on Tb2Fe4Si9 by Materials Project},
abstractNote = {Tb2Fe4Si9 crystallizes in the trigonal P-3m1 space group. The structure is three-dimensional. Tb4+ is bonded in a 6-coordinate geometry to eight Si+2.22- atoms. There are a spread of Tb–Si bond distances ranging from 2.88–3.19 Å. There are two inequivalent Fe3+ sites. In the first Fe3+ site, Fe3+ is bonded in a 10-coordinate geometry to ten Si+2.22- atoms. There are a spread of Fe–Si bond distances ranging from 2.31–2.69 Å. In the second Fe3+ site, Fe3+ is bonded to seven Si+2.22- atoms to form distorted edge-sharing FeSi7 hexagonal pyramids. There are a spread of Fe–Si bond distances ranging from 2.31–2.47 Å. There are five inequivalent Si+2.22- sites. In the first Si+2.22- site, Si+2.22- is bonded in a 11-coordinate geometry to one Tb4+, four equivalent Fe3+, and six Si+2.22- atoms. There are three shorter (2.51 Å) and three longer (2.65 Å) Si–Si bond lengths. In the second Si+2.22- site, Si+2.22- is bonded in a 4-coordinate geometry to one Tb4+, four equivalent Fe3+, and six Si+2.22- atoms. There are three shorter (2.65 Å) and three longer (2.67 Å) Si–Si bond lengths. In the third Si+2.22- site, Si+2.22- is bonded in a 10-coordinate geometry to three equivalent Tb4+, three equivalent Fe3+, and four Si+2.22- atoms. The Si–Si bond length is 2.39 Å. In the fourth Si+2.22- site, Si+2.22- is bonded in a 6-coordinate geometry to three equivalent Tb4+, three equivalent Fe3+, and three equivalent Si+2.22- atoms. In the fifth Si+2.22- site, Si+2.22- is bonded in a 8-coordinate geometry to six equivalent Fe3+ and eight Si+2.22- atoms.},
doi = {10.17188/1744945},
journal = {},
number = ,
volume = ,
place = {United States},
year = {2020},
month = {5}
}