DOE OSTI2020
Si(NH3)2F4 is alpha Po structured and crystallizes in the monoclinic P2_1/c space group. The structure is zero-dimensional and consists of two Si(NH3)2F4 clusters. Si4+ is bonded in an octahedral geometry to two equivalent N3- and four F1- atoms. Both Si–N bond lengths are 1.92 Å. There is two shorter (1.70 Å) and two longer (1.72 Å) Si–F bond length. N3- is bonded in a distorted trigonal non-coplanar geometry to one Si4+ and three H1+ atoms. All N–H bond lengths are 1.03 Å. There are three inequivalent H1+ sites. In the first H1+ site, H1+ is bonded in a single-bond geometry to one N3- atom. In the second H1+ site, H1+ is bonded in a single-bond geometry to one N3- atom. In the third H1+ site, H1+ is bonded in a single-bond geometry to one N3- atom. There are two inequivalent F1- sites. In the first F1- site, F1- is bonded in a single-bond geometry to one Si4+ atom. In the second F1- site, F1- is bonded in a single-bond geometry to one Si4+ atom.