Fe2Al3Si crystallizes in the cubic Fd-3m space group. Fe(1) is bonded in a 9-coordinate geometry to six equivalent Al(1) and three equivalent Si(1) atoms. Al(1) is bonded in a 6-coordinate geometry to four equivalent Fe(1) and two equivalent Si(1) atoms. Si(1) is bonded to six equivalent Fe(1) and six equivalent Al(1) atoms to form face-sharing SiAl6Fe6 cuboctahedra.
Fe2Al3Si crystallizes in the cubic Fd-3m space group. Fe(1) is bonded in a 9-coordinate geometry to six equivalent Al(1) and three equivalent Si(1) atoms. There are three shorter (2.47 Å) and three longer (2.64 Å) Fe(1)-Al(1) bond lengths. All Fe(1)-Si(1) bond lengths are 2.37 Å. Al(1) is bonded in a 6-coordinate geometry to four equivalent Fe(1) and two equivalent Si(1) atoms. Both Al(1)-Si(1) bond lengths are 2.67 Å. Si(1) is bonded to six equivalent Fe(1) and six equivalent Al(1) atoms to form face-sharing SiAl6Fe6 cuboctahedra.