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Title: Materials Data on MnFe3Si8 by Materials Project

Abstract

MnFe3Si8 crystallizes in the tetragonal P4/mmm space group. The structure is three-dimensional. Mn2+ is bonded in a body-centered cubic geometry to eight equivalent Si1- atoms. All Mn–Si bond lengths are 2.37 Å. There are two inequivalent Fe2+ sites. In the first Fe2+ site, Fe2+ is bonded in a body-centered cubic geometry to eight Si1- atoms. There are four shorter (2.37 Å) and four longer (2.39 Å) Fe–Si bond lengths. In the second Fe2+ site, Fe2+ is bonded in a body-centered cubic geometry to eight equivalent Si1- atoms. All Fe–Si bond lengths are 2.38 Å. There are four inequivalent Si1- sites. In the first Si1- site, Si1- is bonded in a 9-coordinate geometry to four equivalent Fe2+ and one Si1- atom. The Si–Si bond length is 2.35 Å. In the second Si1- site, Si1- is bonded in a 9-coordinate geometry to four equivalent Fe2+ and one Si1- atom. The Si–Si bond length is 2.34 Å. In the third Si1- site, Si1- is bonded in a 5-coordinate geometry to four equivalent Fe2+ and one Si1- atom. In the fourth Si1- site, Si1- is bonded in a 5-coordinate geometry to four equivalent Mn2+ and one Si1- atom.

Publication Date:
Other Number(s):
mp-1221641
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; MnFe3Si8; Fe-Mn-Si
OSTI Identifier:
1725112
DOI:
https://doi.org/10.17188/1725112

Citation Formats

The Materials Project. Materials Data on MnFe3Si8 by Materials Project. United States: N. p., 2020. Web. doi:10.17188/1725112.
The Materials Project. Materials Data on MnFe3Si8 by Materials Project. United States. doi:https://doi.org/10.17188/1725112
The Materials Project. 2020. "Materials Data on MnFe3Si8 by Materials Project". United States. doi:https://doi.org/10.17188/1725112. https://www.osti.gov/servlets/purl/1725112. Pub date:Sat May 02 00:00:00 EDT 2020
@article{osti_1725112,
title = {Materials Data on MnFe3Si8 by Materials Project},
author = {The Materials Project},
abstractNote = {MnFe3Si8 crystallizes in the tetragonal P4/mmm space group. The structure is three-dimensional. Mn2+ is bonded in a body-centered cubic geometry to eight equivalent Si1- atoms. All Mn–Si bond lengths are 2.37 Å. There are two inequivalent Fe2+ sites. In the first Fe2+ site, Fe2+ is bonded in a body-centered cubic geometry to eight Si1- atoms. There are four shorter (2.37 Å) and four longer (2.39 Å) Fe–Si bond lengths. In the second Fe2+ site, Fe2+ is bonded in a body-centered cubic geometry to eight equivalent Si1- atoms. All Fe–Si bond lengths are 2.38 Å. There are four inequivalent Si1- sites. In the first Si1- site, Si1- is bonded in a 9-coordinate geometry to four equivalent Fe2+ and one Si1- atom. The Si–Si bond length is 2.35 Å. In the second Si1- site, Si1- is bonded in a 9-coordinate geometry to four equivalent Fe2+ and one Si1- atom. The Si–Si bond length is 2.34 Å. In the third Si1- site, Si1- is bonded in a 5-coordinate geometry to four equivalent Fe2+ and one Si1- atom. In the fourth Si1- site, Si1- is bonded in a 5-coordinate geometry to four equivalent Mn2+ and one Si1- atom.},
doi = {10.17188/1725112},
journal = {},
number = ,
volume = ,
place = {United States},
year = {2020},
month = {5}
}