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N2SiF6 is Calaverite structured and crystallizes in the monoclinic C2/m space group. The structure is zero-dimensional and consists of four ammonia molecules and two SiF6 clusters. In each SiF6 cluster, Si4+ is bonded in an octahedral geometry to six equivalent F1- atoms. All Si–F bond lengths are 1.71 Å. F1- is bonded in a single-bond geometry to one Si4+ atom.
N2SiF6 is Fluorite structured and crystallizes in the cubic Fm-3m space group. The structure is zero-dimensional and consists of eight ammonia molecules and four SiF6 clusters. In each SiF6 cluster, Si4+ is bonded in an octahedral geometry to six equivalent F1- atoms. All Si–F bond lengths are 1.71 Å. F1- is bonded in a single-bond geometry to one Si4+ atom.
N2SiF6NF crystallizes in the tetragonal P4/mbm space group. The structure is one-dimensional and consists of two N2SiF6 ribbons oriented in the (0, 0, 1) direction and two NF ribbons oriented in the (0, 0, 1) direction. In each N2SiF6 ribbon, Si4+ is bonded in an octahedral geometry to six F1- atoms. There is four shorter (1.65 Å) and two longer (1.86 Å) Si–F bond length. N1+ is bonded in a bent 150 degrees geometry to two equivalent F1- atoms. Both N–F bond lengths are 2.17 Å. There are two inequivalent F1- sites. In the first F1- site, F1- is bonded in a distorted single-bond geometry to one Si4+ and two equivalent N1+ atoms. In the second F1- site, F1- is bonded in a single-bond geometry to one Si4+ atom. In each NF ribbon, N1+ is bonded in a linear geometry to two equivalent F1- atoms. Both N–F bond lengths are 2.14 Å. F1- is bonded in a linear geometry to two equivalent N1+ atoms.
Computed materials data using density functional theory calculations. These calculations determine the electronic structure of bulk materials by solving approximations to the Schrodinger equation. For more information, see https://materialsproject.org/docs/calculations
N2SiF4 is Cyanogen Chloride-derived structured and crystallizes in the orthorhombic Immm space group. The structure is zero-dimensional and consists of twelve ammonia molecules and six silane, tetrafluoro- molecules.