Materials Data on Mn20Si12C by Materials Project
Abstract
Mn20Si12C crystallizes in the monoclinic P2/m space group. The structure is three-dimensional. there are eight inequivalent Mn+2.10+ sites. In the first Mn+2.10+ site, Mn+2.10+ is bonded in a 8-coordinate geometry to two equivalent Mn+2.10+ and six Si+3.33- atoms. Both Mn–Mn bond lengths are 2.40 Å. There are a spread of Mn–Si bond distances ranging from 2.42–2.44 Å. In the second Mn+2.10+ site, Mn+2.10+ is bonded in a 8-coordinate geometry to two equivalent Mn+2.10+ and six Si+3.33- atoms. Both Mn–Mn bond lengths are 2.40 Å. There are a spread of Mn–Si bond distances ranging from 2.42–2.45 Å. In the third Mn+2.10+ site, Mn+2.10+ is bonded in a 8-coordinate geometry to two equivalent Mn+2.10+ and six Si+3.33- atoms. There are a spread of Mn–Si bond distances ranging from 2.39–2.41 Å. In the fourth Mn+2.10+ site, Mn+2.10+ is bonded in a 8-coordinate geometry to two equivalent Mn+2.10+ and six Si+3.33- atoms. There are two shorter (2.40 Å) and four longer (2.42 Å) Mn–Si bond lengths. In the fifth Mn+2.10+ site, Mn+2.10+ is bonded to five Si+3.33- atoms to form a mixture of distorted edge and corner-sharing MnSi5 trigonal bipyramids. There are a spread of Mn–Si bond distances ranging from 2.40–2.63 Å. In themore »
- Authors:
- Publication Date:
- Other Number(s):
- mp-1222227
- 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; Mn20Si12C; C-Mn-Si
- OSTI Identifier:
- 1749700
- DOI:
- https://doi.org/10.17188/1749700
Citation Formats
The Materials Project. Materials Data on Mn20Si12C by Materials Project. United States: N. p., 2020.
Web. doi:10.17188/1749700.
The Materials Project. Materials Data on Mn20Si12C by Materials Project. United States. doi:https://doi.org/10.17188/1749700
The Materials Project. 2020.
"Materials Data on Mn20Si12C by Materials Project". United States. doi:https://doi.org/10.17188/1749700. https://www.osti.gov/servlets/purl/1749700. Pub date:Sat May 02 00:00:00 EDT 2020
@article{osti_1749700,
title = {Materials Data on Mn20Si12C by Materials Project},
author = {The Materials Project},
abstractNote = {Mn20Si12C crystallizes in the monoclinic P2/m space group. The structure is three-dimensional. there are eight inequivalent Mn+2.10+ sites. In the first Mn+2.10+ site, Mn+2.10+ is bonded in a 8-coordinate geometry to two equivalent Mn+2.10+ and six Si+3.33- atoms. Both Mn–Mn bond lengths are 2.40 Å. There are a spread of Mn–Si bond distances ranging from 2.42–2.44 Å. In the second Mn+2.10+ site, Mn+2.10+ is bonded in a 8-coordinate geometry to two equivalent Mn+2.10+ and six Si+3.33- atoms. Both Mn–Mn bond lengths are 2.40 Å. There are a spread of Mn–Si bond distances ranging from 2.42–2.45 Å. In the third Mn+2.10+ site, Mn+2.10+ is bonded in a 8-coordinate geometry to two equivalent Mn+2.10+ and six Si+3.33- atoms. There are a spread of Mn–Si bond distances ranging from 2.39–2.41 Å. In the fourth Mn+2.10+ site, Mn+2.10+ is bonded in a 8-coordinate geometry to two equivalent Mn+2.10+ and six Si+3.33- atoms. There are two shorter (2.40 Å) and four longer (2.42 Å) Mn–Si bond lengths. In the fifth Mn+2.10+ site, Mn+2.10+ is bonded to five Si+3.33- atoms to form a mixture of distorted edge and corner-sharing MnSi5 trigonal bipyramids. There are a spread of Mn–Si bond distances ranging from 2.40–2.63 Å. In the sixth Mn+2.10+ site, Mn+2.10+ is bonded in a distorted single-bond geometry to five Si+3.33- and one C2- atom. There are a spread of Mn–Si bond distances ranging from 2.40–2.67 Å. The Mn–C bond length is 2.00 Å. In the seventh Mn+2.10+ site, Mn+2.10+ is bonded to five Si+3.33- atoms to form a mixture of distorted edge and corner-sharing MnSi5 trigonal bipyramids. There are a spread of Mn–Si bond distances ranging from 2.39–2.62 Å. In the eighth Mn+2.10+ site, Mn+2.10+ is bonded in a distorted single-bond geometry to five Si+3.33- and one C2- atom. There are a spread of Mn–Si bond distances ranging from 2.40–2.66 Å. The Mn–C bond length is 2.00 Å. There are four inequivalent Si+3.33- sites. In the first Si+3.33- site, Si+3.33- is bonded in a 9-coordinate geometry to nine Mn+2.10+ atoms. In the second Si+3.33- site, Si+3.33- is bonded in a 9-coordinate geometry to nine Mn+2.10+ atoms. In the third Si+3.33- site, Si+3.33- is bonded in a 9-coordinate geometry to nine Mn+2.10+ atoms. In the fourth Si+3.33- site, Si+3.33- is bonded in a 9-coordinate geometry to nine Mn+2.10+ atoms. C2- is bonded in an octahedral geometry to six Mn+2.10+ atoms.},
doi = {10.17188/1749700},
journal = {},
number = ,
volume = ,
place = {United States},
year = {2020},
month = {5}
}