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Title: Materials Data on Cd2Fe(CN)6 by Materials Project

Abstract

Fe(Cd(CN)3)2 crystallizes in the trigonal P-3 space group. The structure is two-dimensional and consists of one iron molecule and one Cd(CN)3 sheet oriented in the (0, 0, 1) direction. In the Cd(CN)3 sheet, Cd2+ is bonded to six equivalent N3- atoms to form edge-sharing CdN6 octahedra. There are three shorter (2.38 Å) and three longer (2.39 Å) Cd–N bond lengths. C+1.83+ is bonded in a distorted single-bond geometry to one N3- atom. The C–N bond length is 1.19 Å. N3- is bonded in a distorted trigonal planar geometry to two equivalent Cd2+ and one C+1.83+ atom.

Publication Date:
Other Number(s):
mp-570514
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; Cd2Fe(CN)6; C-Cd-Fe-N
OSTI Identifier:
1275752
DOI:
https://doi.org/10.17188/1275752

Citation Formats

The Materials Project. Materials Data on Cd2Fe(CN)6 by Materials Project. United States: N. p., 2020. Web. doi:10.17188/1275752.
The Materials Project. Materials Data on Cd2Fe(CN)6 by Materials Project. United States. doi:https://doi.org/10.17188/1275752
The Materials Project. 2020. "Materials Data on Cd2Fe(CN)6 by Materials Project". United States. doi:https://doi.org/10.17188/1275752. https://www.osti.gov/servlets/purl/1275752. Pub date:Sat Jul 18 00:00:00 EDT 2020
@article{osti_1275752,
title = {Materials Data on Cd2Fe(CN)6 by Materials Project},
author = {The Materials Project},
abstractNote = {Fe(Cd(CN)3)2 crystallizes in the trigonal P-3 space group. The structure is two-dimensional and consists of one iron molecule and one Cd(CN)3 sheet oriented in the (0, 0, 1) direction. In the Cd(CN)3 sheet, Cd2+ is bonded to six equivalent N3- atoms to form edge-sharing CdN6 octahedra. There are three shorter (2.38 Å) and three longer (2.39 Å) Cd–N bond lengths. C+1.83+ is bonded in a distorted single-bond geometry to one N3- atom. The C–N bond length is 1.19 Å. N3- is bonded in a distorted trigonal planar geometry to two equivalent Cd2+ and one C+1.83+ atom.},
doi = {10.17188/1275752},
journal = {},
number = ,
volume = ,
place = {United States},
year = {2020},
month = {7}
}