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Materials Data on Sn(NF2)4 by Materials Project

SnF6(FN2)2 crystallizes in the orthorhombic Pccn space group. The structure is zero-dimensional and consists of four tetrafluorostannane;dihydrofluoride molecules and eight FN2 clusters. In each FN2 cluster, there are two inequivalent N1+ sites. In the first N1+ site, N1+ is bonded in a bent 150 degrees geometry to one N1+ and one F1- atom. The N–N bond length is 1.11 Å. The N–F bond length is 1.94 Å. In the second N1+ site, N1+ is bonded in a single-bond geometry to one N1+ atom. F1- is bonded in a single-bond geometry to one N1+ atom.

36 MATERIALS SCIENCE↗

Materials Data on Sn(NF3)2 by Materials Project

N2SnF6 is Calaverite-like structured and crystallizes in the triclinic P-1 space group. The structure is zero-dimensional and consists of two ammonia molecules and one tetrafluorostannane;dihydrofluoride molecule.

36 MATERIALS SCIENCE↗

Materials Data on SnNF3 by Materials Project

SnNF3 crystallizes in the monoclinic C2 space group. The structure is three-dimensional. Sn4+ is bonded to six F1- atoms to form distorted edge-sharing SnF6 pentagonal pyramids. There are a spread of Sn–F bond distances ranging from 2.17–2.20 Å. N1- is bonded in a 9-coordinate geometry to nine F1- atoms. There are a spread of N–F bond distances ranging from 2.93–3.29 Å. There are three inequivalent F1- sites. In the first F1- site, F1- is bonded in a distorted water-like geometry to two equivalent Sn4+ and three equivalent N1- atoms. In the second F1- site, F1- is bonded in a distorted water-like geometry to two equivalent Sn4+ and three equivalent N1- atoms. In the third F1- site, F1- is bonded in a distorted water-like geometry to two equivalent Sn4+ and three equivalent N1- atoms.

36 MATERIALS SCIENCE↗

Materials Data on Sn(NF3)2 by Materials Project

N2SnF6 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 tetrafluorostannane;dihydrofluoride molecules.

36 MATERIALS SCIENCE↗

Materials Data on SnNF3 by Materials Project

SnNF3 crystallizes in the trigonal R-3 space group. The structure is three-dimensional. Sn4+ is bonded to six equivalent F1- atoms to form distorted edge-sharing SnF6 pentagonal pyramids. There are three shorter (2.11 Å) and three longer (2.30 Å) Sn–F bond lengths. N1- is bonded in a 6-coordinate geometry to six equivalent F1- atoms. There are three shorter (2.48 Å) and three longer (2.67 Å) N–F bond lengths. F1- is bonded in a 4-coordinate geometry to two equivalent Sn4+ and two equivalent N1- atoms.

36 MATERIALS SCIENCE↗

Materials Data on SnNF3 by Materials Project

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

36 MATERIALS SCIENCE↗

Materials Data on Sn(NF)2 by Materials Project

Sn(NF)2 crystallizes in the monoclinic C2/m space group. The structure is two-dimensional and consists of two Sn(NF)2 sheets oriented in the (0, 1, 0) direction. Sn4+ is bonded to four equivalent F1- atoms to form distorted edge-sharing SnF4 hexagonal bipyramids. All Sn–F bond lengths are 2.35 Å. N1- is bonded in a 2-coordinate geometry to one N1- and one F1- atom. The N–N bond length is 1.12 Å. The N–F bond length is 2.55 Å. F1- is bonded in a 3-coordinate geometry to two equivalent Sn4+ and one N1- atom.

36 MATERIALS SCIENCE↗