Materials Data on K6Na4Tl13 by Materials Project

Abstract

K6Na4Tl13 crystallizes in the cubic Im-3 space group. The structure is three-dimensional. K is bonded in a 2-coordinate geometry to six equivalent Tl atoms. There are two shorter (3.78 Å) and four longer (4.04 Å) K–Tl bond lengths. Na is bonded in a distorted hexagonal planar geometry to six equivalent Tl atoms. All Na–Tl bond lengths are 3.23 Å. There are two inequivalent Tl sites. In the first Tl site, Tl is bonded in a cuboctahedral geometry to twelve equivalent Tl atoms. All Tl–Tl bond lengths are 3.31 Å. In the second Tl site, Tl is bonded in a 2-coordinate geometry to three equivalent K, two equivalent Na, and one Tl atom.