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Title: Materials Data on FeCu(C3N4)2 by Materials Project

Abstract

FeCu(CN)6N2 is Heusler structured and crystallizes in the cubic Fm-3m space group. The structure is zero-dimensional and consists of eight ammonia molecules, four iron molecules, and four Cu(CN)6 clusters. In each Cu(CN)6 cluster, Cu1+ is bonded in an octahedral geometry to six equivalent N3- atoms. All Cu–N bond lengths are 2.02 Å. C+3.33+ is bonded in a single-bond geometry to one N3- atom. The C–N bond length is 1.17 Å. N3- is bonded in a linear geometry to one Cu1+ and one C+3.33+ atom.

Publication Date:
Other Number(s):
mp-1189156
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; FeCu(C3N4)2; C-Cu-Fe-N
OSTI Identifier:
1677699
DOI:
https://doi.org/10.17188/1677699

Citation Formats

The Materials Project. Materials Data on FeCu(C3N4)2 by Materials Project. United States: N. p., 2020. Web. doi:10.17188/1677699.
The Materials Project. Materials Data on FeCu(C3N4)2 by Materials Project. United States. doi:https://doi.org/10.17188/1677699
The Materials Project. 2020. "Materials Data on FeCu(C3N4)2 by Materials Project". United States. doi:https://doi.org/10.17188/1677699. https://www.osti.gov/servlets/purl/1677699. Pub date:Mon May 04 00:00:00 EDT 2020
@article{osti_1677699,
title = {Materials Data on FeCu(C3N4)2 by Materials Project},
author = {The Materials Project},
abstractNote = {FeCu(CN)6N2 is Heusler structured and crystallizes in the cubic Fm-3m space group. The structure is zero-dimensional and consists of eight ammonia molecules, four iron molecules, and four Cu(CN)6 clusters. In each Cu(CN)6 cluster, Cu1+ is bonded in an octahedral geometry to six equivalent N3- atoms. All Cu–N bond lengths are 2.02 Å. C+3.33+ is bonded in a single-bond geometry to one N3- atom. The C–N bond length is 1.17 Å. N3- is bonded in a linear geometry to one Cu1+ and one C+3.33+ atom.},
doi = {10.17188/1677699},
journal = {},
number = ,
volume = ,
place = {United States},
year = {2020},
month = {5}
}