Materials Data on K3Tm by Materials Project

Abstract

K3Tm is beta Cu3Ti-like structured and crystallizes in the hexagonal P6_3/mmc space group. The structure is three-dimensional. K is bonded to eight equivalent K and four equivalent Tm atoms to form distorted KK8Tm4 cuboctahedra that share corners with four equivalent TmK12 cuboctahedra, corners with fourteen equivalent KK8Tm4 cuboctahedra, edges with six equivalent TmK12 cuboctahedra, edges with twelve equivalent KK8Tm4 cuboctahedra, faces with four equivalent TmK12 cuboctahedra, and faces with sixteen equivalent KK8Tm4 cuboctahedra. There are a spread of K–K bond distances ranging from 4.17–4.42 Å. There are two shorter (4.28 Å) and two longer (4.29 Å) K–Tm bond lengths. Tm is bonded to twelve equivalent K atoms to form TmK12 cuboctahedra that share corners with six equivalent TmK12 cuboctahedra, corners with twelve equivalent KK8Tm4 cuboctahedra, edges with eighteen equivalent KK8Tm4 cuboctahedra, faces with eight equivalent TmK12 cuboctahedra, and faces with twelve equivalent KK8Tm4 cuboctahedra.