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Title: Materials Data on Mn4Fe8SiGe3 by Materials Project

Abstract

Mn4Fe8Ge3Si is Tungsten-derived structured and crystallizes in the trigonal R-3m space group. The structure is three-dimensional. there are two inequivalent Mn sites. In the first Mn site, Mn is bonded in a distorted body-centered cubic geometry to eight Fe and three equivalent Ge atoms. There are a spread of Mn–Fe bond distances ranging from 2.46–2.51 Å. All Mn–Ge bond lengths are 2.84 Å. In the second Mn site, Mn is bonded in a distorted body-centered cubic geometry to eight Fe, three equivalent Ge, and three equivalent Si atoms. There are a spread of Mn–Fe bond distances ranging from 2.40–2.48 Å. All Mn–Ge bond lengths are 2.84 Å. All Mn–Si bond lengths are 2.84 Å. There are five inequivalent Fe sites. In the first Fe site, Fe is bonded in a body-centered cubic geometry to four Mn and four Ge atoms. There are three shorter (2.46 Å) and one longer (2.47 Å) Fe–Ge bond lengths. In the second Fe site, Fe is bonded in a body-centered cubic geometry to four equivalent Mn and four Ge atoms. There are three shorter (2.46 Å) and one longer (2.49 Å) Fe–Ge bond lengths. In the third Fe site, Fe is bonded in a distortedmore » body-centered cubic geometry to four equivalent Mn, one Ge, and three equivalent Si atoms. The Fe–Ge bond length is 2.50 Å. All Fe–Si bond lengths are 2.44 Å. In the fourth Fe site, Fe is bonded in a body-centered cubic geometry to four Mn, three equivalent Ge, and one Si atom. All Fe–Ge bond lengths are 2.48 Å. The Fe–Si bond length is 2.40 Å. In the fifth Fe site, Fe is bonded in a distorted body-centered cubic geometry to four equivalent Mn, one Ge, and three equivalent Si atoms. There are one shorter (2.40 Å) and three longer (2.48 Å) Fe–Mn bond lengths. The Fe–Ge bond length is 2.50 Å. All Fe–Si bond lengths are 2.44 Å. There are two inequivalent Ge sites. In the first Ge site, Ge is bonded in a distorted body-centered cubic geometry to six Mn and eight Fe atoms. In the second Ge site, Ge is bonded in a distorted body-centered cubic geometry to eight Fe atoms. Si is bonded in a distorted body-centered cubic geometry to six equivalent Mn and eight Fe atoms.« less

Authors:
Publication Date:
Other Number(s):
mp-1222097
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; Mn4Fe8SiGe3; Fe-Ge-Mn-Si
OSTI Identifier:
1749419
DOI:
https://doi.org/10.17188/1749419

Citation Formats

The Materials Project. Materials Data on Mn4Fe8SiGe3 by Materials Project. United States: N. p., 2020. Web. doi:10.17188/1749419.
The Materials Project. Materials Data on Mn4Fe8SiGe3 by Materials Project. United States. doi:https://doi.org/10.17188/1749419
The Materials Project. 2020. "Materials Data on Mn4Fe8SiGe3 by Materials Project". United States. doi:https://doi.org/10.17188/1749419. https://www.osti.gov/servlets/purl/1749419. Pub date:Sun May 03 00:00:00 EDT 2020
@article{osti_1749419,
title = {Materials Data on Mn4Fe8SiGe3 by Materials Project},
author = {The Materials Project},
abstractNote = {Mn4Fe8Ge3Si is Tungsten-derived structured and crystallizes in the trigonal R-3m space group. The structure is three-dimensional. there are two inequivalent Mn sites. In the first Mn site, Mn is bonded in a distorted body-centered cubic geometry to eight Fe and three equivalent Ge atoms. There are a spread of Mn–Fe bond distances ranging from 2.46–2.51 Å. All Mn–Ge bond lengths are 2.84 Å. In the second Mn site, Mn is bonded in a distorted body-centered cubic geometry to eight Fe, three equivalent Ge, and three equivalent Si atoms. There are a spread of Mn–Fe bond distances ranging from 2.40–2.48 Å. All Mn–Ge bond lengths are 2.84 Å. All Mn–Si bond lengths are 2.84 Å. There are five inequivalent Fe sites. In the first Fe site, Fe is bonded in a body-centered cubic geometry to four Mn and four Ge atoms. There are three shorter (2.46 Å) and one longer (2.47 Å) Fe–Ge bond lengths. In the second Fe site, Fe is bonded in a body-centered cubic geometry to four equivalent Mn and four Ge atoms. There are three shorter (2.46 Å) and one longer (2.49 Å) Fe–Ge bond lengths. In the third Fe site, Fe is bonded in a distorted body-centered cubic geometry to four equivalent Mn, one Ge, and three equivalent Si atoms. The Fe–Ge bond length is 2.50 Å. All Fe–Si bond lengths are 2.44 Å. In the fourth Fe site, Fe is bonded in a body-centered cubic geometry to four Mn, three equivalent Ge, and one Si atom. All Fe–Ge bond lengths are 2.48 Å. The Fe–Si bond length is 2.40 Å. In the fifth Fe site, Fe is bonded in a distorted body-centered cubic geometry to four equivalent Mn, one Ge, and three equivalent Si atoms. There are one shorter (2.40 Å) and three longer (2.48 Å) Fe–Mn bond lengths. The Fe–Ge bond length is 2.50 Å. All Fe–Si bond lengths are 2.44 Å. There are two inequivalent Ge sites. In the first Ge site, Ge is bonded in a distorted body-centered cubic geometry to six Mn and eight Fe atoms. In the second Ge site, Ge is bonded in a distorted body-centered cubic geometry to eight Fe atoms. Si is bonded in a distorted body-centered cubic geometry to six equivalent Mn and eight Fe atoms.},
doi = {10.17188/1749419},
journal = {},
number = ,
volume = ,
place = {United States},
year = {2020},
month = {5}
}