Materials Data on TlBi3F10 by Materials Project

Abstract

TlBi3F10 crystallizes in the cubic Fm-3m space group. The structure is three-dimensional. Tl1+ is bonded in a distorted tetrahedral geometry to four equivalent F1- atoms. All Tl–F bond lengths are 2.88 Å. Bi3+ is bonded in a 8-coordinate geometry to eight F1- atoms. There are four shorter (2.31 Å) and four longer (2.49 Å) Bi–F bond lengths. There are two inequivalent F1- sites. In the first F1- site, F1- is bonded in a bent 150 degrees geometry to two equivalent Bi3+ atoms. In the second F1- site, F1- is bonded to one Tl1+ and three equivalent Bi3+ atoms to form a mixture of edge and corner-sharing FTlBi3 tetrahedra.