Materials Data on K8Tl11 by Materials Project

Abstract

K8Tl11 crystallizes in the trigonal R-3c space group. The structure is three-dimensional. there are two inequivalent K sites. In the first K site, K is bonded in a 7-coordinate geometry to seven Tl atoms. There are a spread of K–Tl bond distances ranging from 3.64–4.07 Å. In the second K site, K is bonded in a distorted trigonal non-coplanar geometry to nine Tl atoms. There are a spread of K–Tl bond distances ranging from 3.83–4.16 Å. There are three inequivalent Tl sites. In the first Tl site, Tl is bonded in a 10-coordinate geometry to six K and four Tl atoms. There are a spread of Tl–Tl bond distances ranging from 3.15–3.29 Å. In the second Tl site, Tl is bonded in a 2-coordinate geometry to four K and six Tl atoms. Both Tl–Tl bond lengths are 3.51 Å. In the third Tl site, Tl is bonded in a 12-coordinate geometry to six equivalent K and six Tl atoms.