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Materials Data on Tl2SiHgSe4 by Materials Project

Tl2HgSiSe4 crystallizes in the tetragonal I-42m space group. The structure is three-dimensional. Hg2+ is bonded in a 4-coordinate geometry to four equivalent Se2- atoms. All Hg–Se bond lengths are 2.75 Å. Tl1+ is bonded in a 10-coordinate geometry to two equivalent Tl1+ and eight equivalent Se2- atoms. Both Tl–Tl bond lengths are 3.43 Å. There are four shorter (3.38 Å) and four longer (3.69 Å) Tl–Se bond lengths. Si4+ is bonded in a tetrahedral geometry to four equivalent Se2- atoms. All Si–Se bond lengths are 2.32 Å. Se2- is bonded in a 2-coordinate geometry to one Hg2+, four equivalent Tl1+, and one Si4+ atom.

36 MATERIALS SCIENCE↗