Materials Data on Zn2IN by Materials Project
Zn2NI crystallizes in the orthorhombic Pnma space group. The structure is three-dimensional. there are two inequivalent Zn2+ sites. In the first Zn2+ site, Zn2+ is bonded in a distorted bent 150 degrees geometry to two equivalent N3- and three equivalent I1- atoms. There is one shorter (1.95 Å) and one longer (1.96 Å) Zn–N bond length. There are one shorter (2.94 Å) and two longer (3.26 Å) Zn–I bond lengths. In the second Zn2+ site, Zn2+ is bonded in a linear geometry to two equivalent N3- and four equivalent I1- atoms. Both Zn–N bond lengths are 1.92 Å. There are two shorter (3.27 Å) and two longer (3.49 Å) Zn–I bond lengths. N3- is bonded to four Zn2+ atoms to form corner-sharing NZn4 tetrahedra. I1- is bonded in a 1-coordinate geometry to seven Zn2+ atoms.