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Title: Materials Data on Er2FeSi4 by Materials Project

Abstract

Er2FeSi4 crystallizes in the orthorhombic Amm2 space group. The structure is three-dimensional. there are two inequivalent Er3+ sites. In the first Er3+ site, Er3+ is bonded in a 10-coordinate geometry to ten Si2- atoms. There are a spread of Er–Si bond distances ranging from 2.89–2.99 Å. In the second Er3+ site, Er3+ is bonded in a 10-coordinate geometry to ten Si2- atoms. There are a spread of Er–Si bond distances ranging from 2.97–3.18 Å. Fe2+ is bonded in a 5-coordinate geometry to five Si2- atoms. There are two shorter (2.20 Å) and three longer (2.25 Å) Fe–Si bond lengths. There are four inequivalent Si2- sites. In the first Si2- site, Si2- is bonded in a 9-coordinate geometry to six Er3+, one Fe2+, and two equivalent Si2- atoms. Both Si–Si bond lengths are 2.55 Å. In the second Si2- site, Si2- is bonded in a 8-coordinate geometry to six Er3+ and two equivalent Si2- atoms. In the third Si2- site, Si2- is bonded in a 2-coordinate geometry to four Er3+ and two equivalent Fe2+ atoms. In the fourth Si2- site, Si2- is bonded in a 4-coordinate geometry to four Er3+ and two equivalent Fe2+ atoms.

Publication Date:
Other Number(s):
mp-1225571
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; Er2FeSi4; Er-Fe-Si
OSTI Identifier:
1684208
DOI:
https://doi.org/10.17188/1684208

Citation Formats

The Materials Project. Materials Data on Er2FeSi4 by Materials Project. United States: N. p., 2019. Web. doi:10.17188/1684208.
The Materials Project. Materials Data on Er2FeSi4 by Materials Project. United States. doi:https://doi.org/10.17188/1684208
The Materials Project. 2019. "Materials Data on Er2FeSi4 by Materials Project". United States. doi:https://doi.org/10.17188/1684208. https://www.osti.gov/servlets/purl/1684208. Pub date:Sun Jan 13 00:00:00 EST 2019
@article{osti_1684208,
title = {Materials Data on Er2FeSi4 by Materials Project},
author = {The Materials Project},
abstractNote = {Er2FeSi4 crystallizes in the orthorhombic Amm2 space group. The structure is three-dimensional. there are two inequivalent Er3+ sites. In the first Er3+ site, Er3+ is bonded in a 10-coordinate geometry to ten Si2- atoms. There are a spread of Er–Si bond distances ranging from 2.89–2.99 Å. In the second Er3+ site, Er3+ is bonded in a 10-coordinate geometry to ten Si2- atoms. There are a spread of Er–Si bond distances ranging from 2.97–3.18 Å. Fe2+ is bonded in a 5-coordinate geometry to five Si2- atoms. There are two shorter (2.20 Å) and three longer (2.25 Å) Fe–Si bond lengths. There are four inequivalent Si2- sites. In the first Si2- site, Si2- is bonded in a 9-coordinate geometry to six Er3+, one Fe2+, and two equivalent Si2- atoms. Both Si–Si bond lengths are 2.55 Å. In the second Si2- site, Si2- is bonded in a 8-coordinate geometry to six Er3+ and two equivalent Si2- atoms. In the third Si2- site, Si2- is bonded in a 2-coordinate geometry to four Er3+ and two equivalent Fe2+ atoms. In the fourth Si2- site, Si2- is bonded in a 4-coordinate geometry to four Er3+ and two equivalent Fe2+ atoms.},
doi = {10.17188/1684208},
journal = {},
number = ,
volume = ,
place = {United States},
year = {2019},
month = {1}
}