Materials Data on SmFe2SiC by Materials Project
Abstract
SmFe2SiC crystallizes in the orthorhombic Cmcm space group. The structure is three-dimensional. Sm3+ is bonded in a 7-coordinate geometry to three equivalent Si4- and four equivalent C4- atoms. There are one shorter (2.95 Å) and two longer (2.99 Å) Sm–Si bond lengths. All Sm–C bond lengths are 2.62 Å. Fe+2.50+ is bonded in a single-bond geometry to three equivalent Si4- and one C4- atom. All Fe–Si bond lengths are 2.39 Å. The Fe–C bond length is 1.79 Å. Si4- is bonded in a 9-coordinate geometry to three equivalent Sm3+ and six equivalent Fe+2.50+ atoms. C4- is bonded to four equivalent Sm3+ and two equivalent Fe+2.50+ atoms to form a mixture of distorted edge and corner-sharing CSm4Fe2 octahedra. The corner-sharing octahedral tilt angles are 24°.
- Authors:
- Publication Date:
- Other Number(s):
- mp-1206795
- 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; SmFe2SiC; C-Fe-Si-Sm
- OSTI Identifier:
- 1665554
- DOI:
- https://doi.org/10.17188/1665554
Citation Formats
The Materials Project. Materials Data on SmFe2SiC by Materials Project. United States: N. p., 2020.
Web. doi:10.17188/1665554.
The Materials Project. Materials Data on SmFe2SiC by Materials Project. United States. doi:https://doi.org/10.17188/1665554
The Materials Project. 2020.
"Materials Data on SmFe2SiC by Materials Project". United States. doi:https://doi.org/10.17188/1665554. https://www.osti.gov/servlets/purl/1665554. Pub date:Sat Jul 18 00:00:00 EDT 2020
@article{osti_1665554,
title = {Materials Data on SmFe2SiC by Materials Project},
author = {The Materials Project},
abstractNote = {SmFe2SiC crystallizes in the orthorhombic Cmcm space group. The structure is three-dimensional. Sm3+ is bonded in a 7-coordinate geometry to three equivalent Si4- and four equivalent C4- atoms. There are one shorter (2.95 Å) and two longer (2.99 Å) Sm–Si bond lengths. All Sm–C bond lengths are 2.62 Å. Fe+2.50+ is bonded in a single-bond geometry to three equivalent Si4- and one C4- atom. All Fe–Si bond lengths are 2.39 Å. The Fe–C bond length is 1.79 Å. Si4- is bonded in a 9-coordinate geometry to three equivalent Sm3+ and six equivalent Fe+2.50+ atoms. C4- is bonded to four equivalent Sm3+ and two equivalent Fe+2.50+ atoms to form a mixture of distorted edge and corner-sharing CSm4Fe2 octahedra. The corner-sharing octahedral tilt angles are 24°.},
doi = {10.17188/1665554},
journal = {},
number = ,
volume = ,
place = {United States},
year = {Sat Jul 18 00:00:00 EDT 2020},
month = {Sat Jul 18 00:00:00 EDT 2020}
}