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Title: Materials Data on YFe2SiC by Materials Project

Abstract

YFe2SiC crystallizes in the orthorhombic Cmcm space group. The structure is three-dimensional. Y3+ is bonded in a 4-coordinate geometry to three equivalent Si4- and four equivalent C4- atoms. There are one shorter (2.92 Å) and two longer (2.96 Å) Y–Si bond lengths. All Y–C bond lengths are 2.57 Å. Fe+2.50+ is bonded in a single-bond geometry to three equivalent Si4- and one C4- atom. There are two shorter (2.36 Å) and one longer (2.37 Å) Fe–Si bond lengths. The Fe–C bond length is 1.78 Å. Si4- is bonded in a 9-coordinate geometry to three equivalent Y3+ and six equivalent Fe+2.50+ atoms. C4- is bonded to four equivalent Y3+ and two equivalent Fe+2.50+ atoms to form a mixture of edge and corner-sharing CY4Fe2 octahedra. The corner-sharing octahedral tilt angles are 23°.

Publication Date:
Other Number(s):
mp-1206116
DOE Contract Number:  
AC02-05CH11231; EDCBEE
Product Type:
Dataset
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)
Subject:
36 MATERIALS SCIENCE
Keywords:
crystal structure; YFe2SiC; C-Fe-Si-Y
OSTI Identifier:
1741929
DOI:
https://doi.org/10.17188/1741929

Citation Formats

The Materials Project. Materials Data on YFe2SiC by Materials Project. United States: N. p., 2020. Web. doi:10.17188/1741929.
The Materials Project. Materials Data on YFe2SiC by Materials Project. United States. doi:https://doi.org/10.17188/1741929
The Materials Project. 2020. "Materials Data on YFe2SiC by Materials Project". United States. doi:https://doi.org/10.17188/1741929. https://www.osti.gov/servlets/purl/1741929. Pub date:Sat May 02 00:00:00 EDT 2020
@article{osti_1741929,
title = {Materials Data on YFe2SiC by Materials Project},
author = {The Materials Project},
abstractNote = {YFe2SiC crystallizes in the orthorhombic Cmcm space group. The structure is three-dimensional. Y3+ is bonded in a 4-coordinate geometry to three equivalent Si4- and four equivalent C4- atoms. There are one shorter (2.92 Å) and two longer (2.96 Å) Y–Si bond lengths. All Y–C bond lengths are 2.57 Å. Fe+2.50+ is bonded in a single-bond geometry to three equivalent Si4- and one C4- atom. There are two shorter (2.36 Å) and one longer (2.37 Å) Fe–Si bond lengths. The Fe–C bond length is 1.78 Å. Si4- is bonded in a 9-coordinate geometry to three equivalent Y3+ and six equivalent Fe+2.50+ atoms. C4- is bonded to four equivalent Y3+ and two equivalent Fe+2.50+ atoms to form a mixture of edge and corner-sharing CY4Fe2 octahedra. The corner-sharing octahedral tilt angles are 23°.},
doi = {10.17188/1741929},
journal = {},
number = ,
volume = ,
place = {United States},
year = {2020},
month = {5}
}