Materials Data on Tl2FeS2 by Materials Project
FeTl2S2 crystallizes in the tetragonal I4/mmm space group. The structure is three-dimensional. Fe2+ is bonded in a linear geometry to two equivalent S2- atoms. Both Fe–S bond lengths are 2.13 Å. Tl1+ is bonded in a rectangular see-saw-like geometry to four equivalent S2- atoms. All Tl–S bond lengths are 3.12 Å. S2- is bonded to one Fe2+ and four equivalent Tl1+ atoms to form a mixture of distorted corner and edge-sharing STl4Fe square pyramids.
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