Materials Data on Rb2CoF4 by Materials Project

Abstract

Rb2CoF4 is (La,Ba)CuO4 structured and crystallizes in the tetragonal I4/mmm space group. The structure is three-dimensional. Rb1+ is bonded in a 9-coordinate geometry to nine F1- atoms. There are a spread of Rb–F bond distances ranging from 2.89–2.97 Å. Co2+ is bonded to six F1- atoms to form corner-sharing CoF6 octahedra. The corner-sharing octahedral tilt angles are 0°. There are two shorter (2.04 Å) and four longer (2.10 Å) Co–F bond lengths. There are two inequivalent F1- sites. In the first F1- site, F1- is bonded to five equivalent Rb1+ and one Co2+ atom to form distorted FRb5Co octahedra that share corners with seventeen FRb5Co octahedra, edges with eight equivalent FRb5Co octahedra, and faces with four equivalent FRb4Co2 octahedra. The corner-sharing octahedra tilt angles range from 0–59°. In the second F1- site, F1- is bonded to four equivalent Rb1+ and two equivalent Co2+ atoms to form distorted FRb4Co2 octahedra that share corners with fourteen FRb5Co octahedra, edges with two equivalent FRb4Co2 octahedra, and faces with eight FRb5Co octahedra. The corner-sharing octahedra tilt angles range from 0–59°.