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Title: Materials Data on Cs2FeNi(CN)6 by Materials Project

Abstract

Cs2Ni(CN)6Fe crystallizes in the cubic Fm-3m space group. The structure is three-dimensional and consists of four iron molecules and one Cs2Ni(CN)6 framework. In the Cs2Ni(CN)6 framework, Cs1+ is bonded to twelve equivalent N3- atoms to form distorted CsN12 cuboctahedra that share corners with twelve equivalent CsN12 cuboctahedra, faces with six equivalent CsN12 cuboctahedra, and faces with four equivalent NiN6 octahedra. All Cs–N bond lengths are 3.66 Å. Ni2+ is bonded to six equivalent N3- atoms to form NiN6 octahedra that share faces with eight equivalent CsN12 cuboctahedra. All Ni–N bond lengths are 2.06 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 four equivalent Cs1+, one Ni2+, and one C+1.83+ atom.

Publication Date:
Other Number(s):
mp-571284
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; Cs2FeNi(CN)6; C-Cs-Fe-N-Ni
OSTI Identifier:
1276183
DOI:
10.17188/1276183

Citation Formats

The Materials Project. Materials Data on Cs2FeNi(CN)6 by Materials Project. United States: N. p., 2020. Web. doi:10.17188/1276183.
The Materials Project. Materials Data on Cs2FeNi(CN)6 by Materials Project. United States. doi:10.17188/1276183.
The Materials Project. 2020. "Materials Data on Cs2FeNi(CN)6 by Materials Project". United States. doi:10.17188/1276183. https://www.osti.gov/servlets/purl/1276183. Pub date:Fri Jul 17 00:00:00 EDT 2020
@article{osti_1276183,
title = {Materials Data on Cs2FeNi(CN)6 by Materials Project},
author = {The Materials Project},
abstractNote = {Cs2Ni(CN)6Fe crystallizes in the cubic Fm-3m space group. The structure is three-dimensional and consists of four iron molecules and one Cs2Ni(CN)6 framework. In the Cs2Ni(CN)6 framework, Cs1+ is bonded to twelve equivalent N3- atoms to form distorted CsN12 cuboctahedra that share corners with twelve equivalent CsN12 cuboctahedra, faces with six equivalent CsN12 cuboctahedra, and faces with four equivalent NiN6 octahedra. All Cs–N bond lengths are 3.66 Å. Ni2+ is bonded to six equivalent N3- atoms to form NiN6 octahedra that share faces with eight equivalent CsN12 cuboctahedra. All Ni–N bond lengths are 2.06 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 four equivalent Cs1+, one Ni2+, and one C+1.83+ atom.},
doi = {10.17188/1276183},
journal = {},
number = ,
volume = ,
place = {United States},
year = {2020},
month = {7}
}

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