Materials Data on Tl(FeSe)2 by Materials Project
Tl(FeSe)2 crystallizes in the tetragonal I4/mmm space group. The structure is three-dimensional. Fe is bonded in a 4-coordinate geometry to four equivalent Se atoms. All Fe–Se bond lengths are 2.48 Å. Tl is bonded in a distorted body-centered cubic geometry to eight equivalent Se atoms. All Tl–Se bond lengths are 3.42 Å. Se is bonded in a 4-coordinate geometry to four equivalent Fe and four equivalent Tl atoms.
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