FeAl3 is beta Cu3Ti-like structured and crystallizes in the hexagonal P6_3/mmc space group. Fe(1) is bonded to twelve equivalent Al(1) atoms to form FeAl12 cuboctahedra that share corners with six equivalent Fe(1)Al12 cuboctahedra, corners with twelve equivalent Al(1)Al8Fe4 cuboctahedra, edges with eighteen equivalent Al(1)Al8Fe4 cuboctahedra, faces with eight equivalent Fe(1)Al12 cuboctahedra, and faces with twelve equivalent Al(1)Al8Fe4 cuboctahedra. Al(1) is bonded to four equivalent Fe(1) and eight equivalent Al(1) atoms to form AlAl8Fe4 cuboctahedra that share corners with four equivalent Fe(1)Al12 cuboctahedra, corners with fourteen equivalent Al(1)Al8Fe4 cuboctahedra, edges with six equivalent Fe(1)Al12 cuboctahedra, edges with twelve equivalent Al(1)Al8Fe4 cuboctahedra, faces with four equivalent Fe(1)Al12 cuboctahedra, and faces with sixteen equivalent Al(1)Al8Fe4 cuboctahedra.
FeAl3 is beta Cu3Ti-like structured and crystallizes in the hexagonal P6_3/mmc space group. Fe(1) is bonded to twelve equivalent Al(1) atoms to form FeAl12 cuboctahedra that share corners with six equivalent Fe(1)Al12 cuboctahedra, corners with twelve equivalent Al(1)Al8Fe4 cuboctahedra, edges with eighteen equivalent Al(1)Al8Fe4 cuboctahedra, faces with eight equivalent Fe(1)Al12 cuboctahedra, and faces with twelve equivalent Al(1)Al8Fe4 cuboctahedra. There are six shorter (2.66 Å) and six longer (2.69 Å) Fe(1)-Al(1) bond lengths. Al(1) is bonded to four equivalent Fe(1) and eight equivalent Al(1) atoms to form AlAl8Fe4 cuboctahedra that share corners with four equivalent Fe(1)Al12 cuboctahedra, corners with fourteen equivalent Al(1)Al8Fe4 cuboctahedra, edges with six equivalent Fe(1)Al12 cuboctahedra, edges with twelve equivalent Al(1)Al8Fe4 cuboctahedra, faces with four equivalent Fe(1)Al12 cuboctahedra, and faces with sixteen equivalent Al(1)Al8Fe4 cuboctahedra. There are a spread of Al(1)-Al(1) bond distances ranging from 2.61-2.76 Å.