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Title: Materials Data on Fe7C3 by Materials Project

Abstract

Fe7C3 crystallizes in the hexagonal P6_3mc space group. The structure is three-dimensional. there are three inequivalent Fe sites. In the first Fe site, Fe is bonded in a distorted L-shaped geometry to two equivalent C atoms. Both Fe–C bond lengths are 2.04 Å. In the second Fe site, Fe is bonded in a 3-coordinate geometry to three equivalent C atoms. There is one shorter (1.93 Å) and two longer (2.00 Å) Fe–C bond length. In the third Fe site, Fe is bonded in a 3-coordinate geometry to three equivalent C atoms. All Fe–C bond lengths are 1.98 Å. C is bonded in a 6-coordinate geometry to six Fe atoms.

Publication Date:
Other Number(s):
mp-18257
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; Fe7C3; C-Fe
OSTI Identifier:
1193013
DOI:
https://doi.org/10.17188/1193013

Citation Formats

The Materials Project. Materials Data on Fe7C3 by Materials Project. United States: N. p., 2020. Web. doi:10.17188/1193013.
The Materials Project. Materials Data on Fe7C3 by Materials Project. United States. doi:https://doi.org/10.17188/1193013
The Materials Project. 2020. "Materials Data on Fe7C3 by Materials Project". United States. doi:https://doi.org/10.17188/1193013. https://www.osti.gov/servlets/purl/1193013. Pub date:Wed Jul 15 00:00:00 EDT 2020
@article{osti_1193013,
title = {Materials Data on Fe7C3 by Materials Project},
author = {The Materials Project},
abstractNote = {Fe7C3 crystallizes in the hexagonal P6_3mc space group. The structure is three-dimensional. there are three inequivalent Fe sites. In the first Fe site, Fe is bonded in a distorted L-shaped geometry to two equivalent C atoms. Both Fe–C bond lengths are 2.04 Å. In the second Fe site, Fe is bonded in a 3-coordinate geometry to three equivalent C atoms. There is one shorter (1.93 Å) and two longer (2.00 Å) Fe–C bond length. In the third Fe site, Fe is bonded in a 3-coordinate geometry to three equivalent C atoms. All Fe–C bond lengths are 1.98 Å. C is bonded in a 6-coordinate geometry to six Fe atoms.},
doi = {10.17188/1193013},
journal = {},
number = ,
volume = ,
place = {United States},
year = {2020},
month = {7}
}