Title: Materials Data on Mn3C by Materials Project

Abstract

Mn3C is Cementite structured and crystallizes in the orthorhombic Pnma space group. The structure is two-dimensional and consists of two Mn3C sheets oriented in the (0, 0, 1) direction. there are two inequivalent Mn sites. In the first Mn site, Mn is bonded in a 2-coordinate geometry to two equivalent C atoms. There is one shorter (1.98 Å) and one longer (2.00 Å) Mn–C bond length. In the second Mn site, Mn is bonded in a bent 150 degrees geometry to two equivalent C atoms. There is one shorter (1.95 Å) and one longer (1.99 Å) Mn–C bond length. C is bonded in a 6-coordinate geometry to six Mn atoms.

Publication Date:
Other Number(s):
mp-1188188
DOE Contract Number:  
AC02-05CH11231;
Research Org.:
LBNL Materials Project; Lawrence Berkeley National Laboratory (LBNL), Berkeley, CA (United States)
Sponsoring Org.:
USDOE Office of Science (SC), Basic Energy Sciences (BES) (SC-22)
Collaborations:
The Materials Project; MIT; UC Berkeley; Duke; U Louvain
Subject:
36 MATERIALS SCIENCE; C-Mn; crystal structure; Mn3C
OSTI Identifier:
1652203
DOI:
https://doi.org/10.17188/1652203

Citation Formats

Materials Data on Mn3C by Materials Project. United States: N. p., 2019. Web. doi:10.17188/1652203.
Copy to clipboard
Materials Data on Mn3C by Materials Project. United States. doi:https://doi.org/10.17188/1652203
Copy to clipboard
2019. "Materials Data on Mn3C by Materials Project". United States. doi:https://doi.org/10.17188/1652203. https://www.osti.gov/servlets/purl/1652203. Pub date:Thu Jan 10 19:00:00 EST 2019
Copy to clipboard
@article{osti_1652203,
title = {Materials Data on Mn3C by Materials Project},
abstractNote = {Mn3C is Cementite structured and crystallizes in the orthorhombic Pnma space group. The structure is two-dimensional and consists of two Mn3C sheets oriented in the (0, 0, 1) direction. there are two inequivalent Mn sites. In the first Mn site, Mn is bonded in a 2-coordinate geometry to two equivalent C atoms. There is one shorter (1.98 Å) and one longer (2.00 Å) Mn–C bond length. In the second Mn site, Mn is bonded in a bent 150 degrees geometry to two equivalent C atoms. There is one shorter (1.95 Å) and one longer (1.99 Å) Mn–C bond length. C is bonded in a 6-coordinate geometry to six Mn atoms.},
doi = {10.17188/1652203},
journal = {},
number = ,
volume = ,
place = {United States},
year = {2019},
month = {1}
}
Copy to clipboard
Dataset:
View Dataset
DOI: https://doi.org/10.17188/1652203
Save / Share:
Export Metadata
Save to My Library
You must Sign In or Create an Account in order to save documents to your library.

Similar records in DOE Data Explorer and OSTI.GOV collections: