Materials Data on ZnGaNO by Materials Project

Abstract

ZnGaNO is Stannite-like structured and crystallizes in the orthorhombic Pmc2_1 space group. The structure is three-dimensional. Zn2+ is bonded to two equivalent N3- and two equivalent O2- atoms to form ZnN2O2 tetrahedra that share corners with four equivalent ZnN2O2 tetrahedra and corners with eight equivalent GaN2O2 tetrahedra. Both Zn–N bond lengths are 1.98 Å. There are one shorter (2.08 Å) and one longer (2.12 Å) Zn–O bond lengths. Ga3+ is bonded to two equivalent N3- and two equivalent O2- atoms to form GaN2O2 tetrahedra that share corners with four equivalent GaN2O2 tetrahedra and corners with eight equivalent ZnN2O2 tetrahedra. Both Ga–N bond lengths are 1.91 Å. Both Ga–O bond lengths are 1.99 Å. N3- is bonded to two equivalent Zn2+ and two equivalent Ga3+ atoms to form NZn2Ga2 tetrahedra that share corners with four equivalent NZn2Ga2 tetrahedra and corners with eight equivalent OZn2Ga2 tetrahedra. O2- is bonded to two equivalent Zn2+ and two equivalent Ga3+ atoms to form OZn2Ga2 tetrahedra that share corners with four equivalent OZn2Ga2 tetrahedra and corners with eight equivalent NZn2Ga2 tetrahedra.