Materials Data on ZnAgF3 by Materials Project

Abstract

AgZnF3 is Ilmenite structured and crystallizes in the trigonal R-3 space group. The structure is three-dimensional. Ag1+ is bonded to six equivalent F1- atoms to form distorted AgF6 octahedra that share corners with nine equivalent ZnF6 octahedra, edges with three equivalent AgF6 octahedra, and a faceface with one ZnF6 octahedra. The corner-sharing octahedra tilt angles range from 38–60°. There are three shorter (2.44 Å) and three longer (2.62 Å) Ag–F bond lengths. Zn2+ is bonded to six equivalent F1- atoms to form ZnF6 octahedra that share corners with nine equivalent AgF6 octahedra, edges with three equivalent ZnF6 octahedra, and a faceface with one AgF6 octahedra. The corner-sharing octahedra tilt angles range from 38–60°. There are three shorter (2.05 Å) and three longer (2.11 Å) Zn–F bond lengths. F1- is bonded in a 4-coordinate geometry to two equivalent Ag1+ and two equivalent Zn2+ atoms.