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Title: Materials Data on FeNi2(CN)6 by Materials Project

Abstract

Ni2Fe(CN)6 is half-Heusler-derived structured and crystallizes in the cubic F-43m space group. The structure is zero-dimensional and consists of four iron molecules, four nickel molecules, and four Ni(CN)6 clusters. In each Ni(CN)6 cluster, Ni2+ is bonded in an octahedral geometry to six equivalent N3- atoms. All Ni–N bond lengths are 1.96 Å. C+1.83+ is bonded in a distorted 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 Ni2+ and one C+1.83+ atom.

Publication Date:
Other Number(s):
mp-21498
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; FeNi2(CN)6; C-Fe-N-Ni
OSTI Identifier:
1196951
DOI:
https://doi.org/10.17188/1196951

Citation Formats

The Materials Project. Materials Data on FeNi2(CN)6 by Materials Project. United States: N. p., 2020. Web. doi:10.17188/1196951.
The Materials Project. Materials Data on FeNi2(CN)6 by Materials Project. United States. doi:https://doi.org/10.17188/1196951
The Materials Project. 2020. "Materials Data on FeNi2(CN)6 by Materials Project". United States. doi:https://doi.org/10.17188/1196951. https://www.osti.gov/servlets/purl/1196951. Pub date:Tue Jul 14 00:00:00 EDT 2020
@article{osti_1196951,
title = {Materials Data on FeNi2(CN)6 by Materials Project},
author = {The Materials Project},
abstractNote = {Ni2Fe(CN)6 is half-Heusler-derived structured and crystallizes in the cubic F-43m space group. The structure is zero-dimensional and consists of four iron molecules, four nickel molecules, and four Ni(CN)6 clusters. In each Ni(CN)6 cluster, Ni2+ is bonded in an octahedral geometry to six equivalent N3- atoms. All Ni–N bond lengths are 1.96 Å. C+1.83+ is bonded in a distorted 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 Ni2+ and one C+1.83+ atom.},
doi = {10.17188/1196951},
journal = {},
number = ,
volume = ,
place = {United States},
year = {2020},
month = {7}
}