Materials Data on H25C8IN2(OF2)2 by Materials Project

(N(CH3)4)2HF2I(OF)2 is Silicon tetrafluoride-derived structured and crystallizes in the monoclinic C2/m space group. The structure is zero-dimensional and consists of four hydrogen fluoride hydrogen fluoride molecules, eight tetramethylammonium molecules, and four I(OF)2 clusters. In each I(OF)2 cluster, O2- is bonded in a single-bond geometry to one I1- atom. The O–I bond length is 1.80 Å. I1- is bonded in a distorted rectangular see-saw-like geometry to two equivalent O2- and two F1- atoms. Both I–F bond lengths are 2.08 Å. There are two inequivalent F1- sites. In the first F1- site, F1- is bonded in a single-bond geometry to one I1- atom. In the second F1- site, F1- is bonded in a single-bond geometry to one I1- atom.