Materials Data on FeGe3 by Materials Project

Abstract

FeGe3 is beta Cu3Ti-like structured and crystallizes in the hexagonal P6_3/mmc space group. The structure is three-dimensional. Fe is bonded to twelve equivalent Ge atoms to form FeGe12 cuboctahedra that share corners with six equivalent FeGe12 cuboctahedra, corners with twelve equivalent GeFe4Ge8 cuboctahedra, edges with eighteen equivalent GeFe4Ge8 cuboctahedra, faces with eight equivalent FeGe12 cuboctahedra, and faces with twelve equivalent GeFe4Ge8 cuboctahedra. There are six shorter (2.83 Å) and six longer (2.85 Å) Fe–Ge bond lengths. Ge is bonded to four equivalent Fe and eight equivalent Ge atoms to form distorted GeFe4Ge8 cuboctahedra that share corners with four equivalent FeGe12 cuboctahedra, corners with fourteen equivalent GeFe4Ge8 cuboctahedra, edges with six equivalent FeGe12 cuboctahedra, edges with twelve equivalent GeFe4Ge8 cuboctahedra, faces with four equivalent FeGe12 cuboctahedra, and faces with sixteen equivalent GeFe4Ge8 cuboctahedra. There are a spread of Ge–Ge bond distances ranging from 2.69–2.97 Å.