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Title: Materials Data on Fe6Ge5 by Materials Project

Abstract

Fe6Ge5 crystallizes in the monoclinic C2/m space group. The structure is three-dimensional. there are five inequivalent Fe sites. In the first Fe site, Fe is bonded in a 11-coordinate geometry to five Fe and six Ge atoms. There are a spread of Fe–Fe bond distances ranging from 2.37–2.74 Å. There are a spread of Fe–Ge bond distances ranging from 2.41–2.89 Å. In the second Fe site, Fe is bonded in a 5-coordinate geometry to five Fe and six Ge atoms. There are a spread of Fe–Fe bond distances ranging from 2.59–2.71 Å. There are a spread of Fe–Ge bond distances ranging from 2.49–2.69 Å. In the third Fe site, Fe is bonded in a 7-coordinate geometry to two equivalent Fe and seven Ge atoms. Both Fe–Fe bond lengths are 2.77 Å. There are a spread of Fe–Ge bond distances ranging from 2.42–2.66 Å. In the fourth Fe site, Fe is bonded in a 12-coordinate geometry to four Fe and six Ge atoms. Both Fe–Fe bond lengths are 2.47 Å. There are a spread of Fe–Ge bond distances ranging from 2.43–2.47 Å. In the fifth Fe site, Fe is bonded in a 12-coordinate geometry to six Fe and six Ge atoms.more » There are a spread of Fe–Ge bond distances ranging from 2.44–2.51 Å. There are four inequivalent Ge sites. In the first Ge site, Ge is bonded in a 9-coordinate geometry to nine Fe atoms. In the second Ge site, Ge is bonded in a 7-coordinate geometry to seven Fe atoms. In the third Ge site, Ge is bonded in a 7-coordinate geometry to seven Fe atoms. In the fourth Ge site, Ge is bonded in a 7-coordinate geometry to seven Fe atoms.« less

Authors:
Contributors:
Researcher:
Publication Date:
Other Number(s):
mp-636946
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; Fe6Ge5; Fe-Ge
OSTI Identifier:
1279613
DOI:
10.17188/1279613

Citation Formats

Persson, Kristin, and Project, Materials. Materials Data on Fe6Ge5 by Materials Project. United States: N. p., 2020. Web. doi:10.17188/1279613.
Persson, Kristin, & Project, Materials. Materials Data on Fe6Ge5 by Materials Project. United States. doi:10.17188/1279613.
Persson, Kristin, and Project, Materials. 2020. "Materials Data on Fe6Ge5 by Materials Project". United States. doi:10.17188/1279613. https://www.osti.gov/servlets/purl/1279613. Pub date:Tue Jul 14 00:00:00 EDT 2020
@article{osti_1279613,
title = {Materials Data on Fe6Ge5 by Materials Project},
author = {Persson, Kristin and Project, Materials},
abstractNote = {Fe6Ge5 crystallizes in the monoclinic C2/m space group. The structure is three-dimensional. there are five inequivalent Fe sites. In the first Fe site, Fe is bonded in a 11-coordinate geometry to five Fe and six Ge atoms. There are a spread of Fe–Fe bond distances ranging from 2.37–2.74 Å. There are a spread of Fe–Ge bond distances ranging from 2.41–2.89 Å. In the second Fe site, Fe is bonded in a 5-coordinate geometry to five Fe and six Ge atoms. There are a spread of Fe–Fe bond distances ranging from 2.59–2.71 Å. There are a spread of Fe–Ge bond distances ranging from 2.49–2.69 Å. In the third Fe site, Fe is bonded in a 7-coordinate geometry to two equivalent Fe and seven Ge atoms. Both Fe–Fe bond lengths are 2.77 Å. There are a spread of Fe–Ge bond distances ranging from 2.42–2.66 Å. In the fourth Fe site, Fe is bonded in a 12-coordinate geometry to four Fe and six Ge atoms. Both Fe–Fe bond lengths are 2.47 Å. There are a spread of Fe–Ge bond distances ranging from 2.43–2.47 Å. In the fifth Fe site, Fe is bonded in a 12-coordinate geometry to six Fe and six Ge atoms. There are a spread of Fe–Ge bond distances ranging from 2.44–2.51 Å. There are four inequivalent Ge sites. In the first Ge site, Ge is bonded in a 9-coordinate geometry to nine Fe atoms. In the second Ge site, Ge is bonded in a 7-coordinate geometry to seven Fe atoms. In the third Ge site, Ge is bonded in a 7-coordinate geometry to seven Fe atoms. In the fourth Ge site, Ge is bonded in a 7-coordinate geometry to seven Fe atoms.},
doi = {10.17188/1279613},
journal = {},
number = ,
volume = ,
place = {United States},
year = {2020},
month = {7}
}

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