Materials Data on NiAgF3 by Materials Project

Abstract

AgNiF3 crystallizes in the orthorhombic Cmcm space group. The structure is three-dimensional. Ni2+ is bonded to six F1- atoms to form a mixture of corner and edge-sharing NiF6 octahedra. The corner-sharing octahedral tilt angles are 38°. There are two shorter (2.02 Å) and four longer (2.05 Å) Ni–F bond lengths. Ag1+ is bonded in a 8-coordinate geometry to eight F1- atoms. There are a spread of Ag–F bond distances ranging from 2.53–2.65 Å. There are two inequivalent F1- sites. In the first F1- site, F1- is bonded in a 5-coordinate geometry to two equivalent Ni2+ and three equivalent Ag1+ atoms. In the second F1- site, F1- is bonded in a 2-coordinate geometry to two equivalent Ni2+ and two equivalent Ag1+ atoms.