Materials Data on Tl4SnTe3 by Materials Project
Tl4SnTe3 crystallizes in the tetragonal I4/mcm space group. The structure is three-dimensional. Tl1+ is bonded in a 5-coordinate geometry to five Te2- atoms. There are a spread of Tl–Te bond distances ranging from 3.19–3.60 Å. Sn2+ is bonded to six Te2- atoms to form corner-sharing SnTe6 octahedra. The corner-sharing octahedra tilt angles range from 0–39°. There are four shorter (3.32 Å) and two longer (3.37 Å) Sn–Te bond lengths. There are two inequivalent Te2- sites. In the first Te2- site, Te2- is bonded in a 10-coordinate geometry to eight equivalent Tl1+ and two equivalent Sn2+ atoms. In the second Te2- site, Te2- is bonded in a 8-coordinate geometry to six equivalent Tl1+ and two equivalent Sn2+ atoms.
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