Materials Data on KGaFe(CN)6 by Materials Project
KFeGa(CN)6 is half-Heusler structured and crystallizes in the cubic F-43m space group. The structure is zero-dimensional and consists of four ferrum molecules, four kalium molecules, and four Ga(CN)6 clusters. In each Ga(CN)6 cluster, Ga3+ is bonded in an octahedral geometry to six equivalent N3- atoms. All Ga–N bond lengths are 2.04 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 Ga3+ and one C+1.83+ atom.
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