U.S. Department of EnergyOffice of Scientific and Technical Information
Materials Data on Mn4Si7 by Materials Project
Abstract
Mn4Si7 crystallizes in the tetragonal P-4c2 space group. The structure is three-dimensional. there are five inequivalent Mn3+ sites. In the first Mn3+ site, Mn3+ is bonded in a 8-coordinate geometry to eight Si+1.71- atoms. There are four shorter (2.39 Å) and four longer (2.41 Å) Mn–Si bond lengths. 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 2.35–2.45 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 2.31–2.54 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 2.29–2.58 Å. In the fifth 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 2.29–2.76 Å. There are four inequivalent Si+1.71- sites. In the first Si+1.71- site, Si+1.71- is bonded in a 2-coordinate geometry to five Mn3+ atoms. In the second Si+1.71- site, Si+1.71- is bonded in a 4-coordinate geometry to four Mn3+ atoms. In themore »
- Authors:
- Publication Date:
- Other Number(s):
- mp-680339
- 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:
- 1283602
- DOI:
- https://doi.org/10.17188/1283602
Citation Formats
The Materials Project. Materials Data on Mn4Si7 by Materials Project. United States: N. p., 2020.
Web. doi:10.17188/1283602.
The Materials Project. Materials Data on Mn4Si7 by Materials Project. United States. doi:https://doi.org/10.17188/1283602
The Materials Project. 2020.
"Materials Data on Mn4Si7 by Materials Project". United States. doi:https://doi.org/10.17188/1283602. https://www.osti.gov/servlets/purl/1283602. Pub date:Thu Apr 30 00:00:00 EDT 2020
@article{osti_1283602,
title = {Materials Data on Mn4Si7 by Materials Project},
author = {The Materials Project},
abstractNote = {Mn4Si7 crystallizes in the tetragonal P-4c2 space group. The structure is three-dimensional. there are five inequivalent Mn3+ sites. In the first Mn3+ site, Mn3+ is bonded in a 8-coordinate geometry to eight Si+1.71- atoms. There are four shorter (2.39 Å) and four longer (2.41 Å) Mn–Si bond lengths. 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 2.35–2.45 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 2.31–2.54 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 2.29–2.58 Å. In the fifth 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 2.29–2.76 Å. There are four inequivalent Si+1.71- sites. In the first Si+1.71- site, Si+1.71- is bonded in a 2-coordinate geometry to five Mn3+ atoms. In the second Si+1.71- site, Si+1.71- is bonded in a 4-coordinate geometry to four 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.},
doi = {10.17188/1283602},
journal = {},
number = ,
volume = ,
place = {United States},
year = {Thu Apr 30 00:00:00 EDT 2020},
month = {Thu Apr 30 00:00:00 EDT 2020}
}