Materials Data on Rb2ZnF4 by Materials Project

Abstract

Rb2ZnF4 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 2.88–2.98 Å. Zn2+ is bonded to six F1- atoms to form corner-sharing ZnF6 octahedra. The corner-sharing octahedral tilt angles are 0°. There are two shorter (2.04 Å) and four longer (2.11 Å) Zn–F bond lengths. There are two inequivalent F1- sites. In the first F1- site, F1- is bonded in a distorted linear geometry to four equivalent Rb1+ and two equivalent Zn2+ atoms. In the second F1- site, F1- is bonded to five equivalent Rb1+ and one Zn2+ atom to form a mixture of distorted edge and corner-sharing FRb5Zn octahedra. The corner-sharing octahedra tilt angles range from 0–1°.