Materials Data on K2SnHgSe4 by Materials Project

Abstract

K2HgSnSe4 is Hazelwoodite-derived structured and crystallizes in the tetragonal I-42m space group. The structure is three-dimensional. K1+ is bonded in a 8-coordinate geometry to eight equivalent Se2- atoms. There are four shorter (3.47 Å) and four longer (3.61 Å) K–Se bond lengths. Hg2+ is bonded to four equivalent Se2- atoms to form distorted HgSe4 tetrahedra that share edges with two equivalent SnSe4 tetrahedra. All Hg–Se bond lengths are 2.77 Å. Sn4+ is bonded to four equivalent Se2- atoms to form SnSe4 tetrahedra that share edges with two equivalent HgSe4 tetrahedra. All Sn–Se bond lengths are 2.59 Å. Se2- is bonded in a 6-coordinate geometry to four equivalent K1+, one Hg2+, and one Sn4+ atom.