Fe3AlH is (Cubic) Perovskite structured and crystallizes in the cubic Pm-3m space group. Fe(1) is bonded in a linear geometry to four equivalent Al(1) and two equivalent H(1) atoms. Al(1) is bonded to twelve equivalent Fe(1) atoms to form AlFe12 cuboctahedra that share corners with twelve equivalent Al(1)Fe12 cuboctahedra, faces with six equivalent Al(1)Fe12 cuboctahedra, and faces with eight equivalent H(1)Fe6 octahedra. H(1) is bonded to six equivalent Fe(1) atoms to form HFe6 octahedra that share corners with six equivalent H(1)Fe6 octahedra and faces with eight equivalent Al(1)Fe12 cuboctahedra. The corner-sharing octahedra are not tilted.
Fe3AlH is (Cubic) Perovskite structured and crystallizes in the cubic Pm-3m space group. Fe(1) is bonded in a linear geometry to four equivalent Al(1) and two equivalent H(1) atoms. All Fe(1)-Al(1) bond lengths are 2.62 Å. Both Fe(1)-H(1) bond lengths are 1.85 Å. Al(1) is bonded to twelve equivalent Fe(1) atoms to form AlFe12 cuboctahedra that share corners with twelve equivalent Al(1)Fe12 cuboctahedra, faces with six equivalent Al(1)Fe12 cuboctahedra, and faces with eight equivalent H(1)Fe6 octahedra. H(1) is bonded to six equivalent Fe(1) atoms to form HFe6 octahedra that share corners with six equivalent H(1)Fe6 octahedra and faces with eight equivalent Al(1)Fe12 cuboctahedra. The corner-sharing octahedra are not tilted.