Materials Data on Zn2SnN2 by Materials Project

Abstract

Zn2SnN2 crystallizes in the monoclinic C2/m space group. The structure is two-dimensional and consists of one Zn2SnN2 sheet oriented in the (0, 0, 1) direction. there are two inequivalent Zn2+ sites. In the first Zn2+ site, Zn2+ is bonded in a distorted trigonal planar geometry to four N3- atoms. There are a spread of Zn–N bond distances ranging from 1.98–2.63 Å. In the second Zn2+ site, Zn2+ is bonded in a trigonal planar geometry to three N3- atoms. There are two shorter (1.99 Å) and one longer (2.02 Å) Zn–N bond lengths. Sn2+ is bonded in an L-shaped geometry to two N3- atoms. There are one shorter (2.12 Å) and one longer (2.13 Å) Sn–N bond lengths. There are two inequivalent N3- sites. In the first N3- site, N3- is bonded in a 5-coordinate geometry to four Zn2+ and one Sn2+ atom. In the second N3- site, N3- is bonded to three Zn2+ and one Sn2+ atom to form corner-sharing NZn3Sn tetrahedra.