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Title: Materials Data on Mn23C6 by Materials Project

Abstract

Mn23C6 crystallizes in the cubic Fm-3m space group. The structure is three-dimensional. there are four inequivalent Mn sites. In the first Mn site, Mn is bonded in a distorted cuboctahedral geometry to twelve equivalent Mn atoms. All Mn–Mn bond lengths are 2.46 Å. In the second Mn site, Mn is bonded in a distorted tetrahedral geometry to four equivalent Mn atoms. All Mn–Mn bond lengths are 2.38 Å. In the third Mn site, Mn is bonded in a trigonal non-coplanar geometry to one Mn and three equivalent C atoms. All Mn–C bond lengths are 2.06 Å. In the fourth Mn site, Mn is bonded in a bent 150 degrees geometry to one Mn and two equivalent C atoms. Both Mn–C bond lengths are 2.07 Å. C is bonded in a 8-coordinate geometry to eight Mn atoms.

Publication Date:
Other Number(s):
mp-542830
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; Mn23C6; C-Mn
OSTI Identifier:
1266748
DOI:
10.17188/1266748

Citation Formats

The Materials Project. Materials Data on Mn23C6 by Materials Project. United States: N. p., 2020. Web. doi:10.17188/1266748.
The Materials Project. Materials Data on Mn23C6 by Materials Project. United States. doi:10.17188/1266748.
The Materials Project. 2020. "Materials Data on Mn23C6 by Materials Project". United States. doi:10.17188/1266748. https://www.osti.gov/servlets/purl/1266748. Pub date:Tue Jul 14 00:00:00 EDT 2020
@article{osti_1266748,
title = {Materials Data on Mn23C6 by Materials Project},
author = {The Materials Project},
abstractNote = {Mn23C6 crystallizes in the cubic Fm-3m space group. The structure is three-dimensional. there are four inequivalent Mn sites. In the first Mn site, Mn is bonded in a distorted cuboctahedral geometry to twelve equivalent Mn atoms. All Mn–Mn bond lengths are 2.46 Å. In the second Mn site, Mn is bonded in a distorted tetrahedral geometry to four equivalent Mn atoms. All Mn–Mn bond lengths are 2.38 Å. In the third Mn site, Mn is bonded in a trigonal non-coplanar geometry to one Mn and three equivalent C atoms. All Mn–C bond lengths are 2.06 Å. In the fourth Mn site, Mn is bonded in a bent 150 degrees geometry to one Mn and two equivalent C atoms. Both Mn–C bond lengths are 2.07 Å. C is bonded in a 8-coordinate geometry to eight Mn atoms.},
doi = {10.17188/1266748},
journal = {},
number = ,
volume = ,
place = {United States},
year = {2020},
month = {7}
}

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