Tl(FeSe)2 crystallizes in the tetragonal I4/mmm space group. Fe(1) is bonded in a 4-coordinate geometry to four equivalent Se(1) atoms. Tl(1) is bonded in a distorted body-centered cubic geometry to eight equivalent Se(1) atoms. Se(1) is bonded in a 4-coordinate geometry to four equivalent Fe(1) and four equivalent Tl(1) atoms.
Tl(FeSe)2 crystallizes in the tetragonal I4/mmm space group. Fe(1) is bonded in a 4-coordinate geometry to four equivalent Se(1) atoms. All Fe(1)-Se(1) bond lengths are 2.48 Å. Tl(1) is bonded in a distorted body-centered cubic geometry to eight equivalent Se(1) atoms. All Tl(1)-Se(1) bond lengths are 3.42 Å. Se(1) is bonded in a 4-coordinate geometry to four equivalent Fe(1) and four equivalent Tl(1) atoms.