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Title: Materials Data on Er2Fe2Si2C by Materials Project

Abstract

Er2Fe2Si2C crystallizes in the monoclinic C2/m space group. The structure is three-dimensional. Er3+ is bonded in a 2-coordinate geometry to five equivalent Si4- and two equivalent C4- atoms. There are a spread of Er–Si bond distances ranging from 2.97–3.01 Å. Both Er–C bond lengths are 2.55 Å. Fe3+ is bonded in a distorted single-bond geometry to three equivalent Si4- and one C4- atom. There are two shorter (2.28 Å) and one longer (2.31 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 Er3+, three equivalent Fe3+, and one Si4- atom. The Si–Si bond length is 2.68 Å. C4- is bonded to four equivalent Er3+ and two equivalent Fe3+ atoms to form distorted edge-sharing CEr4Fe2 octahedra.

Authors:
Publication Date:
Other Number(s):
mp-1025354
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; Er2Fe2Si2C; C-Er-Fe-Si
OSTI Identifier:
1355282
DOI:
https://doi.org/10.17188/1355282

Citation Formats

The Materials Project. Materials Data on Er2Fe2Si2C by Materials Project. United States: N. p., 2020. Web. doi:10.17188/1355282.
The Materials Project. Materials Data on Er2Fe2Si2C by Materials Project. United States. doi:https://doi.org/10.17188/1355282
The Materials Project. 2020. "Materials Data on Er2Fe2Si2C by Materials Project". United States. doi:https://doi.org/10.17188/1355282. https://www.osti.gov/servlets/purl/1355282. Pub date:Sun May 03 00:00:00 EDT 2020
@article{osti_1355282,
title = {Materials Data on Er2Fe2Si2C by Materials Project},
author = {The Materials Project},
abstractNote = {Er2Fe2Si2C crystallizes in the monoclinic C2/m space group. The structure is three-dimensional. Er3+ is bonded in a 2-coordinate geometry to five equivalent Si4- and two equivalent C4- atoms. There are a spread of Er–Si bond distances ranging from 2.97–3.01 Å. Both Er–C bond lengths are 2.55 Å. Fe3+ is bonded in a distorted single-bond geometry to three equivalent Si4- and one C4- atom. There are two shorter (2.28 Å) and one longer (2.31 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 Er3+, three equivalent Fe3+, and one Si4- atom. The Si–Si bond length is 2.68 Å. C4- is bonded to four equivalent Er3+ and two equivalent Fe3+ atoms to form distorted edge-sharing CEr4Fe2 octahedra.},
doi = {10.17188/1355282},
journal = {},
number = ,
volume = ,
place = {United States},
year = {2020},
month = {5}
}