Materials Data on Sb2Te2Se by Materials Project
Sb2SeTe2 is MAX Phase-like structured and crystallizes in the trigonal R-3m space group. The structure is two-dimensional and consists of three Sb2SeTe2 sheets oriented in the (0, 0, 1) direction. Sb3+ is bonded to three equivalent Te2- and three equivalent Se2- atoms to form a mixture of corner and edge-sharing SbTe3Se3 octahedra. The corner-sharing octahedral tilt angles are 0°. All Sb–Te bond lengths are 3.01 Å. All Sb–Se bond lengths are 3.04 Å. Te2- is bonded in a 3-coordinate geometry to three equivalent Sb3+ atoms. Se2- is bonded to six equivalent Sb3+ atoms to form edge-sharing SeSb6 octahedra.