Materials Data on KTlSe2 by Materials Project
KTlSe2 crystallizes in the tetragonal I4/mcm space group. The structure is three-dimensional. K1+ is bonded in a 8-coordinate geometry to eight equivalent Se2- atoms. All K–Se bond lengths are 3.53 Å. Tl3+ is bonded to four equivalent Se2- atoms to form edge-sharing TlSe4 tetrahedra. All Tl–Se bond lengths are 2.73 Å. Se2- is bonded in a 6-coordinate geometry to four equivalent K1+ and two equivalent Tl3+ atoms.
36 MATERIALS SCIENCE↗