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Title: 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 = {2020},
month = {7}
}