Materials Data on K8Tl10Zn by Materials Project

Abstract

K8ZnTl10 crystallizes in the tetragonal P4/nnc space group. The structure is three-dimensional. K is bonded in a 6-coordinate geometry to six Tl atoms. There are a spread of K–Tl bond distances ranging from 3.58–4.03 Å. Zn is bonded in a distorted q6 geometry to ten Tl atoms. There are two shorter (2.97 Å) and eight longer (2.98 Å) Zn–Tl bond lengths. There are two inequivalent Tl sites. In the first Tl site, Tl is bonded in a 9-coordinate geometry to five equivalent K, one Zn, and three Tl atoms. There are a spread of Tl–Tl bond distances ranging from 3.19–3.32 Å. In the second Tl site, Tl is bonded in a distorted q6 geometry to four equivalent K, one Zn, and four equivalent Tl atoms.