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Title: Materials Data on Cr3C by Materials Project

Abstract

Cr3C is Cementite structured and crystallizes in the orthorhombic Pnma space group. The structure is three-dimensional. there are two inequivalent Cr sites. In the first Cr site, Cr is bonded in a 2-coordinate geometry to three equivalent C atoms. There are a spread of Cr–C bond distances ranging from 2.04–2.32 Å. In the second Cr site, Cr is bonded in a bent 150 degrees geometry to two equivalent C atoms. There are one shorter (2.02 Å) and one longer (2.05 Å) Cr–C bond lengths. C is bonded in a 6-coordinate geometry to eight Cr atoms.

Publication Date:
Other Number(s):
mp-1189286
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; Cr3C; C-Cr
OSTI Identifier:
1724818
DOI:
https://doi.org/10.17188/1724818

Citation Formats

The Materials Project. Materials Data on Cr3C by Materials Project. United States: N. p., 2020. Web. doi:10.17188/1724818.
The Materials Project. Materials Data on Cr3C by Materials Project. United States. doi:https://doi.org/10.17188/1724818
The Materials Project. 2020. "Materials Data on Cr3C by Materials Project". United States. doi:https://doi.org/10.17188/1724818. https://www.osti.gov/servlets/purl/1724818. Pub date:Sun May 03 00:00:00 EDT 2020
@article{osti_1724818,
title = {Materials Data on Cr3C by Materials Project},
author = {The Materials Project},
abstractNote = {Cr3C is Cementite structured and crystallizes in the orthorhombic Pnma space group. The structure is three-dimensional. there are two inequivalent Cr sites. In the first Cr site, Cr is bonded in a 2-coordinate geometry to three equivalent C atoms. There are a spread of Cr–C bond distances ranging from 2.04–2.32 Å. In the second Cr site, Cr is bonded in a bent 150 degrees geometry to two equivalent C atoms. There are one shorter (2.02 Å) and one longer (2.05 Å) Cr–C bond lengths. C is bonded in a 6-coordinate geometry to eight Cr atoms.},
doi = {10.17188/1724818},
journal = {},
number = ,
volume = ,
place = {United States},
year = {2020},
month = {5}
}