DOE OSTI2020
Co2(GeTe)3 is Skutterudite-derived structured and crystallizes in the trigonal R-3 space group. The structure is three-dimensional. there are two inequivalent Co sites. In the first Co site, Co is bonded to three equivalent Ge and three equivalent Te atoms to form corner-sharing CoGe3Te3 octahedra. The corner-sharing octahedra tilt angles range from 47–58°. All Co–Ge bond lengths are 2.38 Å. All Co–Te bond lengths are 2.52 Å. In the second Co site, Co is bonded to three Ge and three Te atoms to form corner-sharing CoGe3Te3 octahedra. The corner-sharing octahedra tilt angles range from 46–58°. There are a spread of Co–Ge bond distances ranging from 2.35–2.37 Å. There are two shorter (2.54 Å) and one longer (2.56 Å) Co–Te bond lengths. There are two inequivalent Ge sites. In the first Ge site, Ge is bonded in a 4-coordinate geometry to two Co and two equivalent Te atoms. There are one shorter (2.78 Å) and one longer (2.96 Å) Ge–Te bond lengths. In the second Ge site, Ge is bonded in a 4-coordinate geometry to two equivalent Co and two equivalent Te atoms. There are one shorter (2.79 Å) and one longer (2.96 Å) Ge–Te bond lengths. There are two inequivalent Te sites. In the first Te site, Te is bonded in a 4-coordinate geometry to two Co and two equivalent Ge atoms. In the second Te site, Te is bonded in a 4-coordinate geometry to two equivalent Co and two equivalent Ge atoms.