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Materials Data on SOF2 by Materials Project

SOF2 is Ammonia-derived structured and crystallizes in the monoclinic P2_1/c space group. The structure is zero-dimensional and consists of eight thionyl fluoride molecules. S4+ is bonded in a trigonal non-coplanar geometry to one O2- and two F1- atoms. The S–O bond length is 1.44 Å. Both S–F bond lengths are 1.63 Å. O2- is bonded in a single-bond geometry to one S4+ atom. There are two inequivalent F1- sites. In the first F1- site, F1- is bonded in a single-bond geometry to one S4+ atom. In the second F1- site, F1- is bonded in a single-bond geometry to one S4+ atom.

36 MATERIALS SCIENCE↗

Materials Data on S2O5F2 by Materials Project

FS(O2)O(O2)SF crystallizes in the tetragonal P-42_1c space group. The structure is zero-dimensional and consists of four FS(O2)O(O2)SF clusters. S6+ is bonded to three O2- and one F1- atom to form corner-sharing SO3F tetrahedra. There is two shorter (1.42 Å) and one longer (1.65 Å) S–O bond length. The S–F bond length is 1.57 Å. There are three inequivalent O2- sites. In the first O2- site, O2- is bonded in a single-bond geometry to one S6+ atom. In the second O2- site, O2- is bonded in a single-bond geometry to one S6+ atom. In the third O2- site, O2- is bonded in a bent 120 degrees geometry to two equivalent S6+ atoms. F1- is bonded in a single-bond geometry to one S6+ atom.

36 MATERIALS SCIENCE↗

Materials Data on S(OF)2 by Materials Project

SO2F2 is Iron carbide-derived structured and crystallizes in the tetragonal P4_12_12 space group. The structure is zero-dimensional and consists of four sulfuryl fluoride molecules. S6+ is bonded in a tetrahedral geometry to two equivalent O2- and two equivalent F1- atoms. Both S–O bond lengths are 1.42 Å. Both S–F bond lengths are 1.57 Å. O2- is bonded in a single-bond geometry to one S6+ atom. F1- is bonded in a single-bond geometry to one S6+ atom.

36 MATERIALS SCIENCE↗