Materials Data on Tl2FeSe2 by Materials Project
Fe(TlSe)2 is Matlockite-like structured and crystallizes in the tetragonal I4/mmm space group. The structure is three-dimensional and consists of two iron molecules and one TlSe framework. In the TlSe framework, Tl1+ is bonded to four equivalent Se2- atoms to form a mixture of corner and edge-sharing TlSe4 tetrahedra. All Tl–Se bond lengths are 3.13 Å. Se2- is bonded in a 5-coordinate geometry to four equivalent Tl1+ and one Se2- atom. The Se–Se bond length is 2.41 Å.
36 MATERIALS SCIENCE↗