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Title: Materials Data on Mn11Si19 by Materials Project

Abstract

Mn11Si19 is Magnesium tetraboride-like structured and crystallizes in the tetragonal P-4n2 space group. The structure is three-dimensional. there are twelve inequivalent Mn+2.55+ sites. In the first Mn+2.55+ site, Mn+2.55+ is bonded in a 8-coordinate geometry to eight Si+1.47- atoms. There are a spread of Mn–Si bond distances ranging from 2.34–2.46 Å. In the second Mn+2.55+ site, Mn+2.55+ is bonded in a 8-coordinate geometry to eight Si+1.47- atoms. There are a spread of Mn–Si bond distances ranging from 2.28–2.61 Å. In the third Mn+2.55+ site, Mn+2.55+ is bonded in a 8-coordinate geometry to eight Si+1.47- atoms. There are a spread of Mn–Si bond distances ranging from 2.28–2.56 Å. In the fourth Mn+2.55+ site, Mn+2.55+ is bonded in a 8-coordinate geometry to eight Si+1.47- atoms. There are a spread of Mn–Si bond distances ranging from 2.29–2.55 Å. In the fifth Mn+2.55+ site, Mn+2.55+ is bonded in a 8-coordinate geometry to eight Si+1.47- atoms. There are a spread of Mn–Si bond distances ranging from 2.28–2.58 Å. In the sixth Mn+2.55+ site, Mn+2.55+ is bonded in a 8-coordinate geometry to eight Si+1.47- atoms. There are a spread of Mn–Si bond distances ranging from 2.31–2.52 Å. In the seventh Mn+2.55+ site, Mn+2.55+ is bonded inmore » a 8-coordinate geometry to eight Si+1.47- atoms. There are a spread of Mn–Si bond distances ranging from 2.37–2.42 Å. In the eighth Mn+2.55+ site, Mn+2.55+ is bonded in a 10-coordinate geometry to ten Si+1.47- atoms. There are a spread of Mn–Si bond distances ranging from 2.28–2.93 Å. In the ninth Mn+2.55+ site, Mn+2.55+ is bonded in a 8-coordinate geometry to eight Si+1.47- atoms. There are four shorter (2.38 Å) and four longer (2.41 Å) Mn–Si bond lengths. In the tenth Mn+2.55+ site, Mn+2.55+ is bonded in a 8-coordinate geometry to eight Si+1.47- atoms. There are a spread of Mn–Si bond distances ranging from 2.33–2.49 Å. In the eleventh Mn+2.55+ site, Mn+2.55+ is bonded in a 10-coordinate geometry to ten Si+1.47- atoms. There are a spread of Mn–Si bond distances ranging from 2.29–2.79 Å. In the twelfth Mn+2.55+ site, Mn+2.55+ is bonded in a 8-coordinate geometry to eight Si+1.47- atoms. There are a spread of Mn–Si bond distances ranging from 2.35–2.43 Å. There are ten inequivalent Si+1.47- sites. In the first Si+1.47- site, Si+1.47- is bonded in a 5-coordinate geometry to five Mn+2.55+ atoms. In the second Si+1.47- site, Si+1.47- is bonded in a 4-coordinate geometry to four Mn+2.55+ atoms. In the third Si+1.47- site, Si+1.47- is bonded in a 4-coordinate geometry to five Mn+2.55+ atoms. In the fourth Si+1.47- site, Si+1.47- is bonded in a 4-coordinate geometry to five Mn+2.55+ atoms. In the fifth Si+1.47- site, Si+1.47- is bonded in a 2-coordinate geometry to five Mn+2.55+ atoms. In the sixth Si+1.47- site, Si+1.47- is bonded in a 5-coordinate geometry to five Mn+2.55+ atoms. In the seventh Si+1.47- site, Si+1.47- is bonded in a 4-coordinate geometry to four Mn+2.55+ atoms. In the eighth Si+1.47- site, Si+1.47- is bonded in a 5-coordinate geometry to five Mn+2.55+ atoms. In the ninth Si+1.47- site, Si+1.47- is bonded in a 5-coordinate geometry to five Mn+2.55+ atoms. In the tenth Si+1.47- site, Si+1.47- is bonded in a 5-coordinate geometry to five Mn+2.55+ atoms.« less

Publication Date:
Other Number(s):
mp-567968
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; Mn11Si19; Mn-Si
OSTI Identifier:
1274156
DOI:
https://doi.org/10.17188/1274156

Citation Formats

The Materials Project. Materials Data on Mn11Si19 by Materials Project. United States: N. p., 2019. Web. doi:10.17188/1274156.
The Materials Project. Materials Data on Mn11Si19 by Materials Project. United States. doi:https://doi.org/10.17188/1274156
The Materials Project. 2019. "Materials Data on Mn11Si19 by Materials Project". United States. doi:https://doi.org/10.17188/1274156. https://www.osti.gov/servlets/purl/1274156. Pub date:Tue Oct 22 00:00:00 EDT 2019
@article{osti_1274156,
title = {Materials Data on Mn11Si19 by Materials Project},
author = {The Materials Project},
abstractNote = {Mn11Si19 is Magnesium tetraboride-like structured and crystallizes in the tetragonal P-4n2 space group. The structure is three-dimensional. there are twelve inequivalent Mn+2.55+ sites. In the first Mn+2.55+ site, Mn+2.55+ is bonded in a 8-coordinate geometry to eight Si+1.47- atoms. There are a spread of Mn–Si bond distances ranging from 2.34–2.46 Å. In the second Mn+2.55+ site, Mn+2.55+ is bonded in a 8-coordinate geometry to eight Si+1.47- atoms. There are a spread of Mn–Si bond distances ranging from 2.28–2.61 Å. In the third Mn+2.55+ site, Mn+2.55+ is bonded in a 8-coordinate geometry to eight Si+1.47- atoms. There are a spread of Mn–Si bond distances ranging from 2.28–2.56 Å. In the fourth Mn+2.55+ site, Mn+2.55+ is bonded in a 8-coordinate geometry to eight Si+1.47- atoms. There are a spread of Mn–Si bond distances ranging from 2.29–2.55 Å. In the fifth Mn+2.55+ site, Mn+2.55+ is bonded in a 8-coordinate geometry to eight Si+1.47- atoms. There are a spread of Mn–Si bond distances ranging from 2.28–2.58 Å. In the sixth Mn+2.55+ site, Mn+2.55+ is bonded in a 8-coordinate geometry to eight Si+1.47- atoms. There are a spread of Mn–Si bond distances ranging from 2.31–2.52 Å. In the seventh Mn+2.55+ site, Mn+2.55+ is bonded in a 8-coordinate geometry to eight Si+1.47- atoms. There are a spread of Mn–Si bond distances ranging from 2.37–2.42 Å. In the eighth Mn+2.55+ site, Mn+2.55+ is bonded in a 10-coordinate geometry to ten Si+1.47- atoms. There are a spread of Mn–Si bond distances ranging from 2.28–2.93 Å. In the ninth Mn+2.55+ site, Mn+2.55+ is bonded in a 8-coordinate geometry to eight Si+1.47- atoms. There are four shorter (2.38 Å) and four longer (2.41 Å) Mn–Si bond lengths. In the tenth Mn+2.55+ site, Mn+2.55+ is bonded in a 8-coordinate geometry to eight Si+1.47- atoms. There are a spread of Mn–Si bond distances ranging from 2.33–2.49 Å. In the eleventh Mn+2.55+ site, Mn+2.55+ is bonded in a 10-coordinate geometry to ten Si+1.47- atoms. There are a spread of Mn–Si bond distances ranging from 2.29–2.79 Å. In the twelfth Mn+2.55+ site, Mn+2.55+ is bonded in a 8-coordinate geometry to eight Si+1.47- atoms. There are a spread of Mn–Si bond distances ranging from 2.35–2.43 Å. There are ten inequivalent Si+1.47- sites. In the first Si+1.47- site, Si+1.47- is bonded in a 5-coordinate geometry to five Mn+2.55+ atoms. In the second Si+1.47- site, Si+1.47- is bonded in a 4-coordinate geometry to four Mn+2.55+ atoms. In the third Si+1.47- site, Si+1.47- is bonded in a 4-coordinate geometry to five Mn+2.55+ atoms. In the fourth Si+1.47- site, Si+1.47- is bonded in a 4-coordinate geometry to five Mn+2.55+ atoms. In the fifth Si+1.47- site, Si+1.47- is bonded in a 2-coordinate geometry to five Mn+2.55+ atoms. In the sixth Si+1.47- site, Si+1.47- is bonded in a 5-coordinate geometry to five Mn+2.55+ atoms. In the seventh Si+1.47- site, Si+1.47- is bonded in a 4-coordinate geometry to four Mn+2.55+ atoms. In the eighth Si+1.47- site, Si+1.47- is bonded in a 5-coordinate geometry to five Mn+2.55+ atoms. In the ninth Si+1.47- site, Si+1.47- is bonded in a 5-coordinate geometry to five Mn+2.55+ atoms. In the tenth Si+1.47- site, Si+1.47- is bonded in a 5-coordinate geometry to five Mn+2.55+ atoms.},
doi = {10.17188/1274156},
journal = {},
number = ,
volume = ,
place = {United States},
year = {2019},
month = {10}
}