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Title: Materials Data on K2FeNi(CN)6 by Materials Project

Abstract

(K)2FeNi(CN)6 is Heusler structured and crystallizes in the cubic Fm-3m space group. The structure is zero-dimensional and consists of four iron molecules, eight potassium 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 2.04 Å. C+1.83+ is bonded in a single-bond geometry to one N3- atom. The C–N bond length is 1.18 Å. N3- is bonded in a linear geometry to one Ni2+ and one C+1.83+ atom.

Authors:
Contributors:
Researcher:
Publication Date:
Other Number(s):
mp-14083
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; K2FeNi(CN)6; C-Fe-K-N-Ni
OSTI Identifier:
1189921
DOI:
10.17188/1189921

Citation Formats

Persson, Kristin, and Project, Materials. Materials Data on K2FeNi(CN)6 by Materials Project. United States: N. p., 2020. Web. doi:10.17188/1189921.
Persson, Kristin, & Project, Materials. Materials Data on K2FeNi(CN)6 by Materials Project. United States. doi:10.17188/1189921.
Persson, Kristin, and Project, Materials. 2020. "Materials Data on K2FeNi(CN)6 by Materials Project". United States. doi:10.17188/1189921. https://www.osti.gov/servlets/purl/1189921. Pub date:Tue Jul 14 00:00:00 EDT 2020
@article{osti_1189921,
title = {Materials Data on K2FeNi(CN)6 by Materials Project},
author = {Persson, Kristin and Project, Materials},
abstractNote = {(K)2FeNi(CN)6 is Heusler structured and crystallizes in the cubic Fm-3m space group. The structure is zero-dimensional and consists of four iron molecules, eight potassium 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 2.04 Å. C+1.83+ is bonded in a single-bond geometry to one N3- atom. The C–N bond length is 1.18 Å. N3- is bonded in a linear geometry to one Ni2+ and one C+1.83+ atom.},
doi = {10.17188/1189921},
journal = {},
number = ,
volume = ,
place = {United States},
year = {2020},
month = {7}
}

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