Materials Data on VS2NO8 by Materials Project

Abstract

VNS2O8 crystallizes in the trigonal P321 space group. The structure is three-dimensional. V5+ is bonded to six equivalent O2- atoms to form VO6 octahedra that share corners with six equivalent SO4 tetrahedra. All V–O bond lengths are 1.95 Å. N1- is bonded in a 6-coordinate geometry to six equivalent O2- atoms. All N–O bond lengths are 3.14 Å. S6+ is bonded to four O2- atoms to form SO4 tetrahedra that share corners with three equivalent VO6 octahedra. The corner-sharing octahedral tilt angles are 15°. There is one shorter (1.42 Å) and three longer (1.50 Å) S–O bond length. There are two inequivalent O2- sites. In the first O2- site, O2- is bonded in a linear geometry to one V5+ and one S6+ atom. In the second O2- site, O2- is bonded in a single-bond geometry to three equivalent N1- and one S6+ atom.