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Title: Materials Data on Er(FeGe)6 by Materials Project

Abstract

ErFe6Ge6 crystallizes in the hexagonal P6/mmm space group. The structure is three-dimensional. Er is bonded to twelve equivalent Fe and eight Ge atoms to form distorted face-sharing ErFe12Ge8 hexagonal bipyramids. All Er–Fe bond lengths are 3.27 Å. There are two shorter (2.81 Å) and six longer (2.95 Å) Er–Ge bond lengths. Fe is bonded in a 12-coordinate geometry to two equivalent Er, four equivalent Fe, and six Ge atoms. All Fe–Fe bond lengths are 2.56 Å. There are four shorter (2.51 Å) and two longer (2.67 Å) Fe–Ge bond lengths. There are three inequivalent Ge sites. In the first Ge site, Ge is bonded in a 12-coordinate geometry to three equivalent Er and six equivalent Fe atoms. In the second Ge site, Ge is bonded in a 6-coordinate geometry to six equivalent Fe atoms. In the third Ge site, Ge is bonded in a 8-coordinate geometry to one Er, six equivalent Fe, and one Ge atom. The Ge–Ge bond length is 2.50 Å.

Authors:
Publication Date:
Other Number(s):
mp-1104963
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(FeGe)6; Er-Fe-Ge
OSTI Identifier:
1672379
DOI:
https://doi.org/10.17188/1672379

Citation Formats

The Materials Project. Materials Data on Er(FeGe)6 by Materials Project. United States: N. p., 2018. Web. doi:10.17188/1672379.
The Materials Project. Materials Data on Er(FeGe)6 by Materials Project. United States. doi:https://doi.org/10.17188/1672379
The Materials Project. 2018. "Materials Data on Er(FeGe)6 by Materials Project". United States. doi:https://doi.org/10.17188/1672379. https://www.osti.gov/servlets/purl/1672379. Pub date:Thu Jul 19 00:00:00 EDT 2018
@article{osti_1672379,
title = {Materials Data on Er(FeGe)6 by Materials Project},
author = {The Materials Project},
abstractNote = {ErFe6Ge6 crystallizes in the hexagonal P6/mmm space group. The structure is three-dimensional. Er is bonded to twelve equivalent Fe and eight Ge atoms to form distorted face-sharing ErFe12Ge8 hexagonal bipyramids. All Er–Fe bond lengths are 3.27 Å. There are two shorter (2.81 Å) and six longer (2.95 Å) Er–Ge bond lengths. Fe is bonded in a 12-coordinate geometry to two equivalent Er, four equivalent Fe, and six Ge atoms. All Fe–Fe bond lengths are 2.56 Å. There are four shorter (2.51 Å) and two longer (2.67 Å) Fe–Ge bond lengths. There are three inequivalent Ge sites. In the first Ge site, Ge is bonded in a 12-coordinate geometry to three equivalent Er and six equivalent Fe atoms. In the second Ge site, Ge is bonded in a 6-coordinate geometry to six equivalent Fe atoms. In the third Ge site, Ge is bonded in a 8-coordinate geometry to one Er, six equivalent Fe, and one Ge atom. The Ge–Ge bond length is 2.50 Å.},
doi = {10.17188/1672379},
journal = {},
number = ,
volume = ,
place = {United States},
year = {2018},
month = {7}
}