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Materials Data on FeCo2(CN)6 by Materials Project

Co2Fe(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 cobalt molecules, four iron molecules, and four Co(CN)6 clusters. In each Co(CN)6 cluster, Co2+ is bonded in an octahedral geometry to six equivalent N3- atoms. All Co–N bond lengths are 1.87 Å. C+1.83+ is bonded in a distorted 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 Co2+ and one C+1.83+ atom.

36 MATERIALS SCIENCE↗