Materials Data on ZnAgF5 by Materials Project

Abstract

AgZnF5 crystallizes in the monoclinic P2_1/c space group. The structure is three-dimensional. Ag3+ is bonded to six F1- atoms to form corner-sharing AgF6 octahedra. The corner-sharing octahedral tilt angles are 39°. There are a spread of Ag–F bond distances ranging from 2.07–2.12 Å. Zn2+ is bonded in a 4-coordinate geometry to seven F1- atoms. There are a spread of Zn–F bond distances ranging from 1.89–2.68 Å. There are five inequivalent F1- sites. In the first F1- site, F1- is bonded in a 2-coordinate geometry to one Ag3+ and two equivalent Zn2+ atoms. In the second F1- site, F1- is bonded in a 2-coordinate geometry to one Ag3+ and two equivalent Zn2+ atoms. In the third F1- site, F1- is bonded in a bent 150 degrees geometry to one Ag3+ and one Zn2+ atom. In the fourth F1- site, F1- is bonded in a linear geometry to one Ag3+ and one Zn2+ atom. In the fifth F1- site, F1- is bonded in a 3-coordinate geometry to two equivalent Ag3+ and one Zn2+ atom.