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Title: Materials Data on Fe13Ge3 by Materials Project

Abstract

Fe13Ge3 crystallizes in the orthorhombic Pmmm space group. The structure is three-dimensional. there are six inequivalent Fe sites. In the first Fe site, Fe is bonded in a distorted body-centered cubic geometry to five Fe and three Ge atoms. There are a spread of Fe–Fe bond distances ranging from 2.46–2.50 Å. All Fe–Ge bond lengths are 2.49 Å. In the second Fe site, Fe is bonded in a 8-coordinate geometry to ten Fe and four Ge atoms. Both Fe–Fe bond lengths are 2.86 Å. All Fe–Ge bond lengths are 2.87 Å. In the third Fe site, Fe is bonded in a distorted body-centered cubic geometry to fourteen Fe atoms. All Fe–Fe bond lengths are 2.87 Å. In the fourth Fe site, Fe is bonded in a 8-coordinate geometry to ten Fe and four Ge atoms. There are two shorter (2.86 Å) and two longer (2.87 Å) Fe–Ge bond lengths. In the fifth Fe site, Fe is bonded in a 8-coordinate geometry to ten Fe and four Ge atoms. There are two shorter (2.86 Å) and two longer (2.87 Å) Fe–Ge bond lengths. In the sixth Fe site, Fe is bonded in a 8-coordinate geometry to eight equivalent Fe and sixmore » Ge atoms. There are two shorter (2.86 Å) and four longer (2.87 Å) Fe–Ge bond lengths. There are three inequivalent Ge sites. In the first Ge site, Ge is bonded in a distorted body-centered cubic geometry to fourteen Fe atoms. In the second Ge site, Ge is bonded in a distorted body-centered cubic geometry to fourteen Fe atoms. In the third Ge site, Ge is bonded in a distorted body-centered cubic geometry to fourteen Fe atoms.« less

Authors:
Contributors:
Researcher:
Publication Date:
Other Number(s):
mp-601833
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; Fe13Ge3; Fe-Ge
OSTI Identifier:
1268324
DOI:
10.17188/1268324

Citation Formats

Persson, Kristin, and Project, Materials. Materials Data on Fe13Ge3 by Materials Project. United States: N. p., 2020. Web. doi:10.17188/1268324.
Persson, Kristin, & Project, Materials. Materials Data on Fe13Ge3 by Materials Project. United States. doi:10.17188/1268324.
Persson, Kristin, and Project, Materials. 2020. "Materials Data on Fe13Ge3 by Materials Project". United States. doi:10.17188/1268324. https://www.osti.gov/servlets/purl/1268324. Pub date:Wed Jul 15 00:00:00 EDT 2020
@article{osti_1268324,
title = {Materials Data on Fe13Ge3 by Materials Project},
author = {Persson, Kristin and Project, Materials},
abstractNote = {Fe13Ge3 crystallizes in the orthorhombic Pmmm space group. The structure is three-dimensional. there are six inequivalent Fe sites. In the first Fe site, Fe is bonded in a distorted body-centered cubic geometry to five Fe and three Ge atoms. There are a spread of Fe–Fe bond distances ranging from 2.46–2.50 Å. All Fe–Ge bond lengths are 2.49 Å. In the second Fe site, Fe is bonded in a 8-coordinate geometry to ten Fe and four Ge atoms. Both Fe–Fe bond lengths are 2.86 Å. All Fe–Ge bond lengths are 2.87 Å. In the third Fe site, Fe is bonded in a distorted body-centered cubic geometry to fourteen Fe atoms. All Fe–Fe bond lengths are 2.87 Å. In the fourth Fe site, Fe is bonded in a 8-coordinate geometry to ten Fe and four Ge atoms. There are two shorter (2.86 Å) and two longer (2.87 Å) Fe–Ge bond lengths. In the fifth Fe site, Fe is bonded in a 8-coordinate geometry to ten Fe and four Ge atoms. There are two shorter (2.86 Å) and two longer (2.87 Å) Fe–Ge bond lengths. In the sixth Fe site, Fe is bonded in a 8-coordinate geometry to eight equivalent Fe and six Ge atoms. There are two shorter (2.86 Å) and four longer (2.87 Å) Fe–Ge bond lengths. There are three inequivalent Ge sites. In the first Ge site, Ge is bonded in a distorted body-centered cubic geometry to fourteen Fe atoms. In the second Ge site, Ge is bonded in a distorted body-centered cubic geometry to fourteen Fe atoms. In the third Ge site, Ge is bonded in a distorted body-centered cubic geometry to fourteen Fe atoms.},
doi = {10.17188/1268324},
journal = {},
number = ,
volume = ,
place = {United States},
year = {2020},
month = {7}
}

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