Materials Data on Tc3Pb by Materials Project

Abstract

Tc3Pb is beta Cu3Ti-like 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 Pb2+ atoms to form distorted TcTc8Pb4 cuboctahedra that share corners with four equivalent PbTc12 cuboctahedra, corners with fourteen equivalent TcTc8Pb4 cuboctahedra, edges with six equivalent PbTc12 cuboctahedra, edges with twelve equivalent TcTc8Pb4 cuboctahedra, faces with four equivalent PbTc12 cuboctahedra, and faces with sixteen equivalent TcTc8Pb4 cuboctahedra. There are a spread of Tc–Tc bond distances ranging from 2.72–3.10 Å. There are two shorter (2.89 Å) and two longer (2.91 Å) Tc–Pb bond lengths. Pb2+ is bonded to twelve equivalent Tc+0.67- atoms to form PbTc12 cuboctahedra that share corners with six equivalent PbTc12 cuboctahedra, corners with twelve equivalent TcTc8Pb4 cuboctahedra, edges with eighteen equivalent TcTc8Pb4 cuboctahedra, faces with eight equivalent PbTc12 cuboctahedra, and faces with twelve equivalent TcTc8Pb4 cuboctahedra.