DOE OSTI2020
Ag2ZnI4 crystallizes in the orthorhombic Pmn2_1 space group. The structure is three-dimensional. Ag1+ is bonded to four I1- atoms to form AgI4 tetrahedra that share corners with four equivalent AgI4 tetrahedra and corners with four equivalent ZnI4 tetrahedra. There are a spread of Ag–I bond distances ranging from 2.86–2.89 Å. Zn2+ is bonded to four I1- atoms to form ZnI4 tetrahedra that share corners with eight equivalent AgI4 tetrahedra. There are a spread of Zn–I bond distances ranging from 2.65–2.68 Å. There are three inequivalent I1- sites. In the first I1- site, I1- is bonded in a trigonal non-coplanar geometry to two equivalent Ag1+ and one Zn2+ atom. In the second I1- site, I1- is bonded in a trigonal non-coplanar geometry to two equivalent Ag1+ and one Zn2+ atom. In the third I1- site, I1- is bonded in a trigonal non-coplanar geometry to two equivalent Ag1+ and one Zn2+ atom.