skip to main content
DOE Data Explorer title logo U.S. Department of Energy
Office of Scientific and Technical Information

Title: Materials Data on Fe3C by Materials Project

Abstract

Fe3C is Cementite structured and crystallizes in the orthorhombic Pnma space group. The structure is two-dimensional and consists of two Fe3C sheets oriented in the (0, 0, 1) direction. there are two inequivalent Fe sites. In the first Fe site, Fe is bonded in a bent 150 degrees geometry to two equivalent C atoms. There is one shorter (1.96 Å) and one longer (1.99 Å) Fe–C bond length. In the second Fe site, Fe is bonded in a 2-coordinate geometry to two equivalent C atoms. Both Fe–C bond lengths are 2.00 Å. C is bonded in a 6-coordinate geometry to six Fe atoms.

Publication Date:
Other Number(s):
mp-510623
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; Fe3C; C-Fe
OSTI Identifier:
1263035
DOI:
https://doi.org/10.17188/1263035

Citation Formats

The Materials Project. Materials Data on Fe3C by Materials Project. United States: N. p., 2020. Web. doi:10.17188/1263035.
The Materials Project. Materials Data on Fe3C by Materials Project. United States. doi:https://doi.org/10.17188/1263035
The Materials Project. 2020. "Materials Data on Fe3C by Materials Project". United States. doi:https://doi.org/10.17188/1263035. https://www.osti.gov/servlets/purl/1263035. Pub date:Wed Jun 24 00:00:00 EDT 2020
@article{osti_1263035,
title = {Materials Data on Fe3C by Materials Project},
author = {The Materials Project},
abstractNote = {Fe3C is Cementite structured and crystallizes in the orthorhombic Pnma space group. The structure is two-dimensional and consists of two Fe3C sheets oriented in the (0, 0, 1) direction. there are two inequivalent Fe sites. In the first Fe site, Fe is bonded in a bent 150 degrees geometry to two equivalent C atoms. There is one shorter (1.96 Å) and one longer (1.99 Å) Fe–C bond length. In the second Fe site, Fe is bonded in a 2-coordinate geometry to two equivalent C atoms. Both Fe–C bond lengths are 2.00 Å. C is bonded in a 6-coordinate geometry to six Fe atoms.},
doi = {10.17188/1263035},
journal = {},
number = ,
volume = ,
place = {United States},
year = {2020},
month = {6}
}