Materials Data on KCdF3 by Materials Project

Abstract

KCdF3 is Orthorhombic Perovskite structured and crystallizes in the orthorhombic Pnma space group. The structure is three-dimensional. K1+ is bonded in a 8-coordinate geometry to eight F1- atoms. There are a spread of K–F bond distances ranging from 2.68–3.07 Å. Cd2+ is bonded to six F1- atoms to form corner-sharing CdF6 octahedra. The corner-sharing octahedral tilt angles are 27°. There are two shorter (2.26 Å) and four longer (2.27 Å) Cd–F bond lengths. There are two inequivalent F1- sites. In the first F1- site, F1- is bonded in a 5-coordinate geometry to three equivalent K1+ and two equivalent Cd2+ atoms. In the second F1- site, F1- is bonded to two equivalent K1+ and two equivalent Cd2+ atoms to form distorted corner-sharing FK2Cd2 tetrahedra.