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

Dataset ·
DOI:https://doi.org/10.17188/1275752· OSTI ID:1275752

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.

Research Organization:
Lawrence Berkeley National Lab. (LBNL), Berkeley, CA (United States). LBNL Materials Project
Sponsoring Organization:
USDOE Office of Science (SC), Basic Energy Sciences (BES)
Contributing Organization:
MIT; UC Berkeley; Duke; U Louvain
DOE Contract Number:
AC02-05CH11231; EDCBEE
OSTI ID:
1275752
Report Number(s):
mp-570514
Resource Relation:
Related Information: https://materialsproject.org/citing
Country of Publication:
United States
Language:
English

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