Materials Data on W2NCl8 by Materials Project
W2NCl8 crystallizes in the triclinic P-1 space group. The structure is one-dimensional and consists of one W2NCl8 ribbon oriented in the (0, 0, 1) direction. W+5.50+ is bonded to one N3- and five Cl1- atoms to form a mixture of distorted edge and corner-sharing WNCl5 octahedra. The corner-sharing octahedral tilt angles are 0°. The W–N bond length is 1.83 Å. There are a spread of W–Cl bond distances ranging from 2.29–2.68 Å. N3- is bonded in a linear geometry to two equivalent W+5.50+ atoms. There are four inequivalent Cl1- sites. In the first Cl1- site, Cl1- is bonded in a single-bond geometry to one W+5.50+ atom. In the second Cl1- site, Cl1- is bonded in a water-like geometry to two equivalent W+5.50+ atoms. In the third Cl1- site, Cl1- is bonded in a single-bond geometry to one W+5.50+ atom. In the fourth Cl1- site, Cl1- is bonded in a single-bond geometry to one W+5.50+ atom.