Materials Data on Bi2Te2S by Materials Project

Bi2Te2S is MAX Phase-like structured and crystallizes in the trigonal R-3m space group. The structure is two-dimensional and consists of three Bi2Te2S sheets oriented in the (0, 0, 1) direction. Bi3+ is bonded to three equivalent Te2- and three equivalent S2- atoms to form a mixture of edge and corner-sharing BiTe3S3 octahedra. The corner-sharing octahedral tilt angles are 0°. All Bi–Te bond lengths are 3.06 Å. All Bi–S bond lengths are 3.03 Å. Te2- is bonded in a 3-coordinate geometry to three equivalent Bi3+ atoms. S2- is bonded to six equivalent Bi3+ atoms to form edge-sharing SBi6 octahedra.