Materials Data on AgSbTeSe by Materials Project

Abstract

AgSbTeSe crystallizes in the tetragonal P4/mmm space group. The structure is three-dimensional. Ag1+ is bonded to four equivalent Te2- and two equivalent Se2- atoms to form AgTe4Se2 octahedra that share corners with six equivalent AgTe4Se2 octahedra, edges with four equivalent AgTe4Se2 octahedra, and edges with eight equivalent SbTe2Se4 octahedra. The corner-sharing octahedral tilt angles are 0°. All Ag–Te bond lengths are 2.91 Å. Both Ag–Se bond lengths are 3.11 Å. Sb3+ is bonded to two equivalent Te2- and four equivalent Se2- atoms to form SbTe2Se4 octahedra that share corners with six equivalent SbTe2Se4 octahedra, edges with four equivalent SbTe2Se4 octahedra, and edges with eight equivalent AgTe4Se2 octahedra. The corner-sharing octahedral tilt angles are 0°. Both Sb–Te bond lengths are 3.11 Å. All Sb–Se bond lengths are 2.91 Å. Te2- is bonded to four equivalent Ag1+ and two equivalent Sb3+ atoms to form TeAg4Sb2 octahedra that share corners with six equivalent TeAg4Sb2 octahedra, edges with four equivalent TeAg4Sb2 octahedra, and edges with eight equivalent SeAg2Sb4 octahedra. The corner-sharing octahedral tilt angles are 0°. Se2- is bonded to two equivalent Ag1+ and four equivalent Sb3+ atoms to form SeAg2Sb4 octahedra that share corners with six equivalent SeAg2Sb4 octahedra, edges with four equivalent SeAg2Sb4 octahedra, and edges with eight equivalent TeAg4Sb2 octahedra. The corner-sharing octahedral tilt angles are 0°.