KFe2S2 crystallizes in the tetragonal I4/mmm space group. K(1) is bonded in a body-centered cubic geometry to eight equivalent S(1) atoms. Fe(1) is bonded to four equivalent S(1) atoms to form a mixture of corner and edge-sharing FeS4 tetrahedra. S(1) is bonded in a 8-coordinate geometry to four equivalent K(1) and four equivalent Fe(1) atoms.
KFe2S2 crystallizes in the tetragonal I4/mmm space group. K(1) is bonded in a body-centered cubic geometry to eight equivalent S(1) atoms. All K(1)-S(1) bond lengths are 3.26 Å. Fe(1) is bonded to four equivalent S(1) atoms to form a mixture of corner and edge-sharing FeS4 tetrahedra. All Fe(1)-S(1) bond lengths are 2.16 Å. S(1) is bonded in a 8-coordinate geometry to four equivalent K(1) and four equivalent Fe(1) atoms.