Materials Data on Tl4HgI6 by Materials Project
Tl4HgI6 crystallizes in the tetragonal P4/mnc space group. The structure is three-dimensional. Hg2+ is bonded in an octahedral geometry to six I1- atoms. There are two shorter (2.75 Å) and four longer (3.40 Å) Hg–I bond lengths. Tl1+ is bonded in a 8-coordinate geometry to eight I1- atoms. There are a spread of Tl–I bond distances ranging from 3.54–3.94 Å. There are two inequivalent I1- sites. In the first I1- site, I1- is bonded in a 7-coordinate geometry to one Hg2+ and six equivalent Tl1+ atoms. In the second I1- site, I1- is bonded in a 5-coordinate geometry to one Hg2+ and four equivalent Tl1+ atoms.
36 MATERIALS SCIENCE↗