Materials Data on DySbTe3 by Materials Project

Abstract

DySbTe3 is Calaverite-derived structured and crystallizes in the trigonal R3m space group. The structure is two-dimensional and consists of three DySbTe3 sheets oriented in the (0, 0, 1) direction. Dy3+ is bonded to six Te2- atoms to form DyTe6 octahedra that share corners with three equivalent SbTe6 octahedra, edges with three equivalent SbTe6 octahedra, and edges with six equivalent DyTe6 octahedra. The corner-sharing octahedral tilt angles are 2°. There are three shorter (3.01 Å) and three longer (3.18 Å) Dy–Te bond lengths. Sb3+ is bonded to six Te2- atoms to form SbTe6 octahedra that share corners with three equivalent DyTe6 octahedra, edges with three equivalent DyTe6 octahedra, and edges with six equivalent SbTe6 octahedra. The corner-sharing octahedral tilt angles are 2°. There are three shorter (3.00 Å) and three longer (3.30 Å) Sb–Te bond lengths. There are three inequivalent Te2- sites. In the first Te2- site, Te2- is bonded to three equivalent Dy3+ and three equivalent Sb3+ atoms to form distorted edge-sharing TeDy3Sb3 octahedra. In the second Te2- site, Te2- is bonded in a 3-coordinate geometry to three equivalent Sb3+ atoms. In the third Te2- site, Te2- is bonded in a 3-coordinate geometry to three equivalent Dy3+ atoms.