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Title: Materials Data on Mn4Si7 by Materials Project

Abstract

Mn4Si7 crystallizes in the monoclinic P2 space group. The structure is three-dimensional. there are sixteen inequivalent Mn3+ sites. In the first Mn3+ site, Mn3+ is bonded in a 10-coordinate geometry to ten Si+1.71- atoms. There are a spread of Mn–Si bond distances ranging from 2.29–2.90 Å. In the second Mn3+ site, Mn3+ is bonded in a 8-coordinate geometry to eight Si+1.71- atoms. There are a spread of Mn–Si bond distances ranging from 2.30–2.56 Å. In the third Mn3+ site, Mn3+ is bonded in a 8-coordinate geometry to eight Si+1.71- atoms. There are a spread of Mn–Si bond distances ranging from 2.29–2.56 Å. In the fourth Mn3+ site, Mn3+ is bonded in a 8-coordinate geometry to eight Si+1.71- atoms. There are a spread of Mn–Si bond distances ranging from 2.32–2.50 Å. In the fifth Mn3+ site, Mn3+ is bonded in a 8-coordinate geometry to eight Si+1.71- atoms. There are a spread of Mn–Si bond distances ranging from 2.33–2.50 Å. In the sixth Mn3+ site, Mn3+ is bonded in a 8-coordinate geometry to eight Si+1.71- atoms. There are a spread of Mn–Si bond distances ranging from 2.29–2.56 Å. In the seventh Mn3+ site, Mn3+ is bonded in a 8-coordinate geometry to eightmore » Si+1.71- atoms. There are a spread of Mn–Si bond distances ranging from 2.36–2.42 Å. In the eighth Mn3+ site, Mn3+ is bonded in a 8-coordinate geometry to eight Si+1.71- atoms. There are a spread of Mn–Si bond distances ranging from 2.32–2.50 Å. In the ninth Mn3+ site, Mn3+ is bonded in a 10-coordinate geometry to ten Si+1.71- atoms. There are a spread of Mn–Si bond distances ranging from 2.29–2.91 Å. In the tenth Mn3+ site, Mn3+ is bonded in a 8-coordinate geometry to eight Si+1.71- atoms. There are a spread of Mn–Si bond distances ranging from 2.32–2.50 Å. In the eleventh Mn3+ site, Mn3+ is bonded in a 8-coordinate geometry to eight Si+1.71- atoms. There are a spread of Mn–Si bond distances ranging from 2.36–2.42 Å. In the twelfth Mn3+ site, Mn3+ is bonded in a 8-coordinate geometry to eight Si+1.71- atoms. There are a spread of Mn–Si bond distances ranging from 2.36–2.42 Å. In the thirteenth Mn3+ site, Mn3+ is bonded in a 8-coordinate geometry to eight Si+1.71- atoms. There are a spread of Mn–Si bond distances ranging from 2.29–2.56 Å. In the fourteenth Mn3+ site, Mn3+ is bonded in a 8-coordinate geometry to eight Si+1.71- atoms. There are a spread of Mn–Si bond distances ranging from 2.37–2.42 Å. In the fifteenth Mn3+ site, Mn3+ is bonded in a 10-coordinate geometry to ten Si+1.71- atoms. There are a spread of Mn–Si bond distances ranging from 2.29–2.90 Å. In the sixteenth Mn3+ site, Mn3+ is bonded in a 10-coordinate geometry to ten Si+1.71- atoms. There are a spread of Mn–Si bond distances ranging from 2.29–2.90 Å. There are fourteen inequivalent Si+1.71- sites. In the first Si+1.71- site, Si+1.71- is bonded in a 4-coordinate geometry to five Mn3+ atoms. In the second Si+1.71- site, Si+1.71- is bonded in a 5-coordinate geometry to five Mn3+ atoms. In the third Si+1.71- site, Si+1.71- is bonded in a 4-coordinate geometry to five Mn3+ atoms. In the fourth Si+1.71- site, Si+1.71- is bonded in a 5-coordinate geometry to five Mn3+ atoms. In the fifth Si+1.71- site, Si+1.71- is bonded in a 4-coordinate geometry to five Mn3+ atoms. In the sixth Si+1.71- site, Si+1.71- is bonded in a 5-coordinate geometry to five Mn3+ atoms. In the seventh Si+1.71- site, Si+1.71- is bonded in a 5-coordinate geometry to five Mn3+ atoms. In the eighth Si+1.71- site, Si+1.71- is bonded in a 5-coordinate geometry to five Mn3+ atoms. In the ninth Si+1.71- site, Si+1.71- is bonded in a 5-coordinate geometry to five Mn3+ atoms. In the tenth Si+1.71- site, Si+1.71- is bonded in a 5-coordinate geometry to five Mn3+ atoms. In the eleventh Si+1.71- site, Si+1.71- is bonded in a 4-coordinate geometry to four Mn3+ atoms. In the twelfth Si+1.71- site, Si+1.71- is bonded in a 5-coordinate geometry to five Mn3+ atoms. In the thirteenth Si+1.71- site, Si+1.71- is bonded in a 4-coordinate geometry to five Mn3+ atoms. In the fourteenth Si+1.71- site, Si+1.71- is bonded in a 4-coordinate geometry to four Mn3+ atoms.« less

Authors:
Publication Date:
Other Number(s):
mp-568121
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; Mn4Si7; Mn-Si
OSTI Identifier:
1274254
DOI:
https://doi.org/10.17188/1274254

Citation Formats

The Materials Project. Materials Data on Mn4Si7 by Materials Project. United States: N. p., 2020. Web. doi:10.17188/1274254.
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The Materials Project. Materials Data on Mn4Si7 by Materials Project. United States. doi:https://doi.org/10.17188/1274254
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The Materials Project. 2020. "Materials Data on Mn4Si7 by Materials Project". United States. doi:https://doi.org/10.17188/1274254. https://www.osti.gov/servlets/purl/1274254. Pub date:Wed Jul 15 00:00:00 EDT 2020
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@article{osti_1274254,
title = {Materials Data on Mn4Si7 by Materials Project},
author = {The Materials Project},
abstractNote = {Mn4Si7 crystallizes in the monoclinic P2 space group. The structure is three-dimensional. there are sixteen inequivalent Mn3+ sites. In the first Mn3+ site, Mn3+ is bonded in a 10-coordinate geometry to ten Si+1.71- atoms. There are a spread of Mn–Si bond distances ranging from 2.29–2.90 Å. In the second Mn3+ site, Mn3+ is bonded in a 8-coordinate geometry to eight Si+1.71- atoms. There are a spread of Mn–Si bond distances ranging from 2.30–2.56 Å. In the third Mn3+ site, Mn3+ is bonded in a 8-coordinate geometry to eight Si+1.71- atoms. There are a spread of Mn–Si bond distances ranging from 2.29–2.56 Å. In the fourth Mn3+ site, Mn3+ is bonded in a 8-coordinate geometry to eight Si+1.71- atoms. There are a spread of Mn–Si bond distances ranging from 2.32–2.50 Å. In the fifth Mn3+ site, Mn3+ is bonded in a 8-coordinate geometry to eight Si+1.71- atoms. There are a spread of Mn–Si bond distances ranging from 2.33–2.50 Å. In the sixth Mn3+ site, Mn3+ is bonded in a 8-coordinate geometry to eight Si+1.71- atoms. There are a spread of Mn–Si bond distances ranging from 2.29–2.56 Å. In the seventh Mn3+ site, Mn3+ is bonded in a 8-coordinate geometry to eight Si+1.71- atoms. There are a spread of Mn–Si bond distances ranging from 2.36–2.42 Å. In the eighth Mn3+ site, Mn3+ is bonded in a 8-coordinate geometry to eight Si+1.71- atoms. There are a spread of Mn–Si bond distances ranging from 2.32–2.50 Å. In the ninth Mn3+ site, Mn3+ is bonded in a 10-coordinate geometry to ten Si+1.71- atoms. There are a spread of Mn–Si bond distances ranging from 2.29–2.91 Å. In the tenth Mn3+ site, Mn3+ is bonded in a 8-coordinate geometry to eight Si+1.71- atoms. There are a spread of Mn–Si bond distances ranging from 2.32–2.50 Å. In the eleventh Mn3+ site, Mn3+ is bonded in a 8-coordinate geometry to eight Si+1.71- atoms. There are a spread of Mn–Si bond distances ranging from 2.36–2.42 Å. In the twelfth Mn3+ site, Mn3+ is bonded in a 8-coordinate geometry to eight Si+1.71- atoms. There are a spread of Mn–Si bond distances ranging from 2.36–2.42 Å. In the thirteenth Mn3+ site, Mn3+ is bonded in a 8-coordinate geometry to eight Si+1.71- atoms. There are a spread of Mn–Si bond distances ranging from 2.29–2.56 Å. In the fourteenth Mn3+ site, Mn3+ is bonded in a 8-coordinate geometry to eight Si+1.71- atoms. There are a spread of Mn–Si bond distances ranging from 2.37–2.42 Å. In the fifteenth Mn3+ site, Mn3+ is bonded in a 10-coordinate geometry to ten Si+1.71- atoms. There are a spread of Mn–Si bond distances ranging from 2.29–2.90 Å. In the sixteenth Mn3+ site, Mn3+ is bonded in a 10-coordinate geometry to ten Si+1.71- atoms. There are a spread of Mn–Si bond distances ranging from 2.29–2.90 Å. There are fourteen inequivalent Si+1.71- sites. In the first Si+1.71- site, Si+1.71- is bonded in a 4-coordinate geometry to five Mn3+ atoms. In the second Si+1.71- site, Si+1.71- is bonded in a 5-coordinate geometry to five Mn3+ atoms. In the third Si+1.71- site, Si+1.71- is bonded in a 4-coordinate geometry to five Mn3+ atoms. In the fourth Si+1.71- site, Si+1.71- is bonded in a 5-coordinate geometry to five Mn3+ atoms. In the fifth Si+1.71- site, Si+1.71- is bonded in a 4-coordinate geometry to five Mn3+ atoms. In the sixth Si+1.71- site, Si+1.71- is bonded in a 5-coordinate geometry to five Mn3+ atoms. In the seventh Si+1.71- site, Si+1.71- is bonded in a 5-coordinate geometry to five Mn3+ atoms. In the eighth Si+1.71- site, Si+1.71- is bonded in a 5-coordinate geometry to five Mn3+ atoms. In the ninth Si+1.71- site, Si+1.71- is bonded in a 5-coordinate geometry to five Mn3+ atoms. In the tenth Si+1.71- site, Si+1.71- is bonded in a 5-coordinate geometry to five Mn3+ atoms. In the eleventh Si+1.71- site, Si+1.71- is bonded in a 4-coordinate geometry to four Mn3+ atoms. In the twelfth Si+1.71- site, Si+1.71- is bonded in a 5-coordinate geometry to five Mn3+ atoms. In the thirteenth Si+1.71- site, Si+1.71- is bonded in a 4-coordinate geometry to five Mn3+ atoms. In the fourteenth Si+1.71- site, Si+1.71- is bonded in a 4-coordinate geometry to four Mn3+ atoms.},
doi = {10.17188/1274254},
journal = {},
number = ,
volume = ,
place = {United States},
year = {2020},
month = {7}
}
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DOI: https://doi.org/10.17188/1274254

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