U.S. Department of EnergyOffice of Scientific and Technical Information
Materials Data on Cr21(FeC3)2 by Materials Project
Abstract
Cr21(FeC3)2 crystallizes in the cubic Fm-3m space group. The structure is three-dimensional. there are three inequivalent Cr sites. In the first Cr site, Cr is bonded in a bent 150 degrees geometry to one Cr and two equivalent C atoms. The Cr–Cr bond length is 2.53 Å. Both Cr–C bond lengths are 2.12 Å. In the second Cr site, Cr is bonded in a 4-coordinate geometry to one Fe and three equivalent C atoms. The Cr–Fe bond length is 2.41 Å. All Cr–C bond lengths are 2.08 Å. In the third Cr site, Cr is bonded in a cuboctahedral geometry to twelve equivalent Cr atoms. Fe is bonded in a distorted tetrahedral geometry to four equivalent Cr atoms. C is bonded in a 8-coordinate geometry to eight Cr atoms.
- Authors:
- Publication Date:
- Other Number(s):
- mp-1213780
- DOE Contract Number:
- AC02-05CH11231; EDCBEE
- 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)
- Collaborations:
- MIT; UC Berkeley; Duke; U Louvain
- Subject:
- 36 MATERIALS SCIENCE
- Keywords:
- crystal structure; Cr21(FeC3)2; C-Cr-Fe
- OSTI Identifier:
- 1684092
- DOI:
- https://doi.org/10.17188/1684092
Citation Formats
The Materials Project. Materials Data on Cr21(FeC3)2 by Materials Project. United States: N. p., 2020.
Web. doi:10.17188/1684092.
The Materials Project. Materials Data on Cr21(FeC3)2 by Materials Project. United States. doi:https://doi.org/10.17188/1684092
The Materials Project. 2020.
"Materials Data on Cr21(FeC3)2 by Materials Project". United States. doi:https://doi.org/10.17188/1684092. https://www.osti.gov/servlets/purl/1684092. Pub date:Wed Apr 29 00:00:00 EDT 2020
@article{osti_1684092,
title = {Materials Data on Cr21(FeC3)2 by Materials Project},
author = {The Materials Project},
abstractNote = {Cr21(FeC3)2 crystallizes in the cubic Fm-3m space group. The structure is three-dimensional. there are three inequivalent Cr sites. In the first Cr site, Cr is bonded in a bent 150 degrees geometry to one Cr and two equivalent C atoms. The Cr–Cr bond length is 2.53 Å. Both Cr–C bond lengths are 2.12 Å. In the second Cr site, Cr is bonded in a 4-coordinate geometry to one Fe and three equivalent C atoms. The Cr–Fe bond length is 2.41 Å. All Cr–C bond lengths are 2.08 Å. In the third Cr site, Cr is bonded in a cuboctahedral geometry to twelve equivalent Cr atoms. Fe is bonded in a distorted tetrahedral geometry to four equivalent Cr atoms. C is bonded in a 8-coordinate geometry to eight Cr atoms.},
doi = {10.17188/1684092},
journal = {},
number = ,
volume = ,
place = {United States},
year = {2020},
month = {4}
}
Save to My Library
You must Sign In or Create an Account in order to save documents to your library.