Mg6LaFe crystallizes in the orthorhombic Amm2 space group. There are four inequivalent Mg sites. In the first Mg site, Mg(1) is bonded to two equivalent Mg(1), two equivalent Mg(2), two equivalent Mg(3), two equivalent Mg(4), two equivalent La(1), and two equivalent Fe(1) atoms to form distorted MgLa2Mg8Fe2 cuboctahedra that share corners with four equivalent Fe(1)La2Mg10 cuboctahedra, corners with ten equivalent Mg(1)La2Mg8Fe2 cuboctahedra, edges with two equivalent Mg(1)La2Mg8Fe2 cuboctahedra, edges with two equivalent Fe(1)La2Mg10 cuboctahedra, faces with two equivalent Fe(1)La2Mg10 cuboctahedra, and faces with four equivalent Mg(1)La2Mg8Fe2 cuboctahedra. In the second Mg site, Mg(2) is bonded in a 12-coordinate geometry to two equivalent Mg(4), four equivalent Mg(1), four equivalent Mg(3), and two equivalent Fe(1) atoms. In the third Mg site, Mg(3) is bonded in a 11-coordinate geometry to one Mg(4), two equivalent Mg(1), two equivalent Mg(2), two equivalent Mg(3), two equivalent La(1), and two equivalent Fe(1) atoms. In the fourth Mg site, Mg(4) is bonded in a 10-coordinate geometry to two equivalent Mg(2), two equivalent Mg(3), four equivalent Mg(1), and two equivalent La(1) atoms. La(1) is bonded in a distorted bent 120 degrees geometry to two equivalent Mg(4), four equivalent Mg(1), four equivalent Mg(3), and two equivalent Fe(1) atoms. Fe(1) is bonded to two equivalent Mg(2), four equivalent Mg(1), four equivalent Mg(3), and two equivalent La(1) atoms to form distorted FeLa2Mg10 cuboctahedra that share corners with six equivalent Fe(1)La2Mg10 cuboctahedra, corners with eight equivalent Mg(1)La2Mg8Fe2 cuboctahedra, edges with four equivalent Mg(1)La2Mg8Fe2 cuboctahedra, faces with two equivalent Fe(1)La2Mg10 cuboctahedra, and faces with four equivalent Mg(1)La2Mg8Fe2 cuboctahedra.
Mg6LaFe crystallizes in the orthorhombic Amm2 space group. There are four inequivalent Mg sites. In the first Mg site, Mg(1) is bonded to two equivalent Mg(1), two equivalent Mg(2), two equivalent Mg(3), two equivalent Mg(4), two equivalent La(1), and two equivalent Fe(1) atoms to form distorted MgLa2Mg8Fe2 cuboctahedra that share corners with four equivalent Fe(1)La2Mg10 cuboctahedra, corners with ten equivalent Mg(1)La2Mg8Fe2 cuboctahedra, edges with two equivalent Mg(1)La2Mg8Fe2 cuboctahedra, edges with two equivalent Fe(1)La2Mg10 cuboctahedra, faces with two equivalent Fe(1)La2Mg10 cuboctahedra, and faces with four equivalent Mg(1)La2Mg8Fe2 cuboctahedra. There is one shorter (3.09 Å) and one longer (3.25 Å) Mg(1)-Mg(1) bond length. There is one shorter (3.32 Å) and one longer (3.37 Å) Mg(1)-Mg(2) bond length. Both Mg(1)-Mg(3) bond lengths are 2.90 Å. Both Mg(1)-Mg(4) bond lengths are 3.06 Å. Both Mg(1)-La(1) bond lengths are 3.33 Å. There is one shorter (3.27 Å) and one longer (3.42 Å) Mg(1)-Fe(1) bond length. In the second Mg site, Mg(2) is bonded in a 12-coordinate geometry to two equivalent Mg(4), four equivalent Mg(1), four equivalent Mg(3), and two equivalent Fe(1) atoms. Both Mg(2)-Mg(4) bond lengths are 3.08 Å. All Mg(2)-Mg(3) bond lengths are 3.16 Å. Both Mg(2)-Fe(1) bond lengths are 3.17 Å. In the third Mg site, Mg(3) is bonded in a 11-coordinate geometry to one Mg(4), two equivalent Mg(1), two equivalent Mg(2), two equivalent Mg(3), two equivalent La(1), and two equivalent Fe(1) atoms. The Mg(3)-Mg(4) bond length is 3.12 Å. There is one shorter (3.16 Å) and one longer (3.19 Å) Mg(3)-Mg(3) bond length. There is one shorter (3.08 Å) and one longer (3.61 Å) Mg(3)-La(1) bond length. Both Mg(3)-Fe(1) bond lengths are 3.15 Å. In the fourth Mg site, Mg(4) is bonded in a 10-coordinate geometry to two equivalent Mg(2), two equivalent Mg(3), four equivalent Mg(1), and two equivalent La(1) atoms. Both Mg(4)-La(1) bond lengths are 3.22 Å. La(1) is bonded in a distorted bent 120 degrees geometry to two equivalent Mg(4), four equivalent Mg(1), four equivalent Mg(3), and two equivalent Fe(1) atoms. Both La(1)-Fe(1) bond lengths are 2.78 Å. Fe(1) is bonded to two equivalent Mg(2), four equivalent Mg(1), four equivalent Mg(3), and two equivalent La(1) atoms to form distorted FeLa2Mg10 cuboctahedra that share corners with six equivalent Fe(1)La2Mg10 cuboctahedra, corners with eight equivalent Mg(1)La2Mg8Fe2 cuboctahedra, edges with four equivalent Mg(1)La2Mg8Fe2 cuboctahedra, faces with two equivalent Fe(1)La2Mg10 cuboctahedra, and faces with four equivalent Mg(1)La2Mg8Fe2 cuboctahedra.