Materials Data on HoAgTe2 by Materials Project

Abstract

HoAgTe2 crystallizes in the trigonal P3m1 space group. The structure is three-dimensional. Ho3+ is bonded to six Te2- atoms to form HoTe6 octahedra that share corners with six equivalent AgTe4 tetrahedra, edges with six equivalent HoTe6 octahedra, and edges with three equivalent AgTe4 tetrahedra. There are three shorter (3.06 Å) and three longer (3.16 Å) Ho–Te bond lengths. Ag1+ is bonded to four Te2- atoms to form AgTe4 tetrahedra that share corners with six equivalent HoTe6 octahedra, corners with six equivalent AgTe4 tetrahedra, and edges with three equivalent HoTe6 octahedra. The corner-sharing octahedra tilt angles range from 11–58°. There are one shorter (2.79 Å) and three longer (2.83 Å) Ag–Te bond lengths. There are two inequivalent Te2- sites. In the first Te2- site, Te2- is bonded to three equivalent Ho3+ and one Ag1+ atom to form distorted TeHo3Ag trigonal pyramids that share corners with six equivalent TeHo3Ag3 octahedra, corners with six equivalent TeHo3Ag trigonal pyramids, and edges with three equivalent TeHo3Ag3 octahedra. The corner-sharing octahedra tilt angles range from 3–67°. In the second Te2- site, Te2- is bonded to three equivalent Ho3+ and three equivalent Ag1+ atoms to form TeHo3Ag3 octahedra that share corners with six equivalent TeHo3Ag trigonal pyramids, edges with six equivalent TeHo3Ag3 octahedra, and edges with three equivalent TeHo3Ag trigonal pyramids.