Materials Data on CoTc3 by Materials Project

Abstract

Tc3Co is Magnesium-derived structured and crystallizes in the hexagonal P6_3/mmc space group. The structure is three-dimensional. Tc+0.67- is bonded to eight equivalent Tc+0.67- and four equivalent Co2+ atoms to form TcCo4Tc8 cuboctahedra that share corners with four equivalent CoTc12 cuboctahedra, corners with fourteen equivalent TcCo4Tc8 cuboctahedra, edges with six equivalent CoTc12 cuboctahedra, edges with twelve equivalent TcCo4Tc8 cuboctahedra, faces with four equivalent CoTc12 cuboctahedra, and faces with sixteen equivalent TcCo4Tc8 cuboctahedra. There are a spread of Tc–Tc bond distances ranging from 2.66–2.70 Å. There are two shorter (2.65 Å) and two longer (2.69 Å) Tc–Co bond lengths. Co2+ is bonded to twelve equivalent Tc+0.67- atoms to form CoTc12 cuboctahedra that share corners with six equivalent CoTc12 cuboctahedra, corners with twelve equivalent TcCo4Tc8 cuboctahedra, edges with eighteen equivalent TcCo4Tc8 cuboctahedra, faces with eight equivalent CoTc12 cuboctahedra, and faces with twelve equivalent TcCo4Tc8 cuboctahedra.