Materials Data on Zn2WN2 by Materials Project

Abstract

WZn2N2 crystallizes in the monoclinic C2/m space group. The structure is three-dimensional. W2+ is bonded in a distorted T-shaped geometry to three N3- atoms. There are a spread of W–N bond distances ranging from 1.83–2.10 Å. There are two inequivalent Zn2+ sites. In the first Zn2+ site, Zn2+ is bonded in a distorted single-bond geometry to three N3- atoms. There are one shorter (1.98 Å) and two longer (2.66 Å) Zn–N bond lengths. In the second Zn2+ site, Zn2+ is bonded in a distorted L-shaped geometry to two equivalent N3- atoms. There are one shorter (1.98 Å) and one longer (2.23 Å) Zn–N bond lengths. There are two inequivalent N3- sites. In the first N3- site, N3- is bonded in a 3-coordinate geometry to one W2+ and four Zn2+ atoms. In the second N3- site, N3- is bonded in a 3-coordinate geometry to two equivalent W2+ and one Zn2+ atom.