Materials Data on Ta2Fe(NF2)6 by Materials Project
(TaF6)2FeN6 is Fluorite structured and crystallizes in the cubic Fm-3m space group. The structure is zero-dimensional and consists of four FeN6 clusters and eight TaF6 clusters. In each FeN6 cluster, Fe3+ is bonded in an octahedral geometry to six equivalent N+0.17- atoms. All Fe–N bond lengths are 2.01 Å. N+0.17- is bonded in a single-bond geometry to one Fe3+ atom. In each TaF6 cluster, Ta5+ is bonded in an octahedral geometry to six equivalent F1- atoms. All Ta–F bond lengths are 1.92 Å. F1- is bonded in a single-bond geometry to one Ta5+ atom.
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