Materials Data on WSNCl5 by Materials Project
WNSCl5 crystallizes in the monoclinic P2_1/c space group. The structure is zero-dimensional and consists of two WNSCl5 clusters. W6+ is bonded to one N1+ and five Cl1- atoms to form distorted edge-sharing WNCl5 octahedra. The W–N bond length is 1.79 Å. There are a spread of W–Cl bond distances ranging from 2.30–2.70 Å. N1+ is bonded in a distorted linear geometry to one W6+ and one S2- atom. The N–S bond length is 1.57 Å. S2- is bonded in a water-like geometry to one N1+ and one Cl1- atom. The S–Cl bond length is 2.06 Å. There are five inequivalent Cl1- sites. In the first Cl1- site, Cl1- is bonded in a single-bond geometry to one W6+ atom. In the second Cl1- site, Cl1- is bonded in a single-bond geometry to one S2- atom. In the third Cl1- site, Cl1- is bonded in a single-bond geometry to one W6+ atom. In the fourth Cl1- site, Cl1- is bonded in a distorted water-like geometry to two equivalent W6+ atoms. In the fifth Cl1- site, Cl1- is bonded in a single-bond geometry to one W6+ atom.