Materials Data on KRb2InF6 by Materials Project

Abstract

Rb2KInF6 crystallizes in the tetragonal I4/m space group. The structure is three-dimensional. Rb1+ is bonded in a 12-coordinate geometry to eight F1- atoms. There are four shorter (3.05 Å) and four longer (3.28 Å) Rb–F bond lengths. K1+ is bonded to six F1- atoms to form KF6 octahedra that share corners with six equivalent InF6 octahedra. The corner-sharing octahedra tilt angles range from 0–18°. There are two shorter (2.56 Å) and four longer (2.57 Å) K–F bond lengths. In3+ is bonded to six F1- atoms to form InF6 octahedra that share corners with six equivalent KF6 octahedra. The corner-sharing octahedra tilt angles range from 0–18°. There are two shorter (2.10 Å) and four longer (2.11 Å) In–F bond lengths. There are two inequivalent F1- sites. In the first F1- site, F1- is bonded in a 4-coordinate geometry to two equivalent Rb1+, one K1+, and one In3+ atom. In the second F1- site, F1- is bonded in a distorted linear geometry to four equivalent Rb1+, one K1+, and one In3+ atom.