U.S. Department of EnergyOffice of Scientific and Technical Information
Materials Data on Lu2Fe2Si2C by Materials Project
Abstract
Lu2Fe2Si2C crystallizes in the monoclinic C2/m space group. The structure is three-dimensional. Lu3+ is bonded in a distorted water-like geometry to five equivalent Si4- and two equivalent C4- atoms. There are three shorter (2.96 Å) and two longer (2.98 Å) Lu–Si bond lengths. Both Lu–C bond lengths are 2.52 Å. Fe3+ is bonded in a distorted single-bond geometry to three equivalent Si4- and one C4- atom. There are two shorter (2.27 Å) and one longer (2.30 Å) Fe–Si bond lengths. The Fe–C bond length is 1.78 Å. Si4- is bonded in a 9-coordinate geometry to five equivalent Lu3+, three equivalent Fe3+, and one Si4- atom. The Si–Si bond length is 2.61 Å. C4- is bonded to four equivalent Lu3+ and two equivalent Fe3+ atoms to form distorted edge-sharing CLu4Fe2 octahedra.
- Publication Date:
- Other Number(s):
- mp-1025357
- 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; C-Fe-Lu-Si; Lu2Fe2Si2C; crystal structure
- OSTI Identifier:
- 1355448
- DOI:
- https://doi.org/10.17188/1355448
Citation Formats
Materials Data on Lu2Fe2Si2C by Materials Project. United States: N. p., 2020.
Web. doi:10.17188/1355448.
Materials Data on Lu2Fe2Si2C by Materials Project. United States. doi:https://doi.org/10.17188/1355448
2020.
"Materials Data on Lu2Fe2Si2C by Materials Project". United States. doi:https://doi.org/10.17188/1355448. https://www.osti.gov/servlets/purl/1355448. Pub date:Mon Jul 20 00:00:00 EDT 2020
@article{osti_1355448,
title = {Materials Data on Lu2Fe2Si2C by Materials Project},
abstractNote = {Lu2Fe2Si2C crystallizes in the monoclinic C2/m space group. The structure is three-dimensional. Lu3+ is bonded in a distorted water-like geometry to five equivalent Si4- and two equivalent C4- atoms. There are three shorter (2.96 Å) and two longer (2.98 Å) Lu–Si bond lengths. Both Lu–C bond lengths are 2.52 Å. Fe3+ is bonded in a distorted single-bond geometry to three equivalent Si4- and one C4- atom. There are two shorter (2.27 Å) and one longer (2.30 Å) Fe–Si bond lengths. The Fe–C bond length is 1.78 Å. Si4- is bonded in a 9-coordinate geometry to five equivalent Lu3+, three equivalent Fe3+, and one Si4- atom. The Si–Si bond length is 2.61 Å. C4- is bonded to four equivalent Lu3+ and two equivalent Fe3+ atoms to form distorted edge-sharing CLu4Fe2 octahedra.},
doi = {10.17188/1355448},
journal = {},
number = ,
volume = ,
place = {United States},
year = {2020},
month = {7}
}