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Title: Materials Data on Er(Fe2Ge)2 by Materials Project

Abstract

ErFe4Ge2 crystallizes in the orthorhombic Pnnm space group. The structure is three-dimensional. Er is bonded in a 6-coordinate geometry to twelve Fe and six equivalent Ge atoms. There are a spread of Er–Fe bond distances ranging from 3.02–3.39 Å. There are two shorter (2.93 Å) and four longer (2.97 Å) Er–Ge bond lengths. There are two inequivalent Fe sites. In the first Fe site, Fe is bonded in a 3-coordinate geometry to three equivalent Er, four Fe, and three equivalent Ge atoms. There are a spread of Fe–Fe bond distances ranging from 2.43–2.61 Å. All Fe–Ge bond lengths are 2.41 Å. In the second Fe site, Fe is bonded in a 1-coordinate geometry to three equivalent Er, four Fe, and four equivalent Ge atoms. The Fe–Fe bond length is 2.66 Å. There are a spread of Fe–Ge bond distances ranging from 2.46–2.66 Å. Ge is bonded in a 10-coordinate geometry to three equivalent Er and seven Fe atoms.

Authors:
Publication Date:
Other Number(s):
mp-20480
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; Er(Fe2Ge)2; Er-Fe-Ge
OSTI Identifier:
1195608
DOI:
https://doi.org/10.17188/1195608

Citation Formats

The Materials Project. Materials Data on Er(Fe2Ge)2 by Materials Project. United States: N. p., 2020. Web. doi:10.17188/1195608.
The Materials Project. Materials Data on Er(Fe2Ge)2 by Materials Project. United States. doi:https://doi.org/10.17188/1195608
The Materials Project. 2020. "Materials Data on Er(Fe2Ge)2 by Materials Project". United States. doi:https://doi.org/10.17188/1195608. https://www.osti.gov/servlets/purl/1195608. Pub date:Fri Jul 17 00:00:00 EDT 2020
@article{osti_1195608,
title = {Materials Data on Er(Fe2Ge)2 by Materials Project},
author = {The Materials Project},
abstractNote = {ErFe4Ge2 crystallizes in the orthorhombic Pnnm space group. The structure is three-dimensional. Er is bonded in a 6-coordinate geometry to twelve Fe and six equivalent Ge atoms. There are a spread of Er–Fe bond distances ranging from 3.02–3.39 Å. There are two shorter (2.93 Å) and four longer (2.97 Å) Er–Ge bond lengths. There are two inequivalent Fe sites. In the first Fe site, Fe is bonded in a 3-coordinate geometry to three equivalent Er, four Fe, and three equivalent Ge atoms. There are a spread of Fe–Fe bond distances ranging from 2.43–2.61 Å. All Fe–Ge bond lengths are 2.41 Å. In the second Fe site, Fe is bonded in a 1-coordinate geometry to three equivalent Er, four Fe, and four equivalent Ge atoms. The Fe–Fe bond length is 2.66 Å. There are a spread of Fe–Ge bond distances ranging from 2.46–2.66 Å. Ge is bonded in a 10-coordinate geometry to three equivalent Er and seven Fe atoms.},
doi = {10.17188/1195608},
journal = {},
number = ,
volume = ,
place = {United States},
year = {2020},
month = {7}
}