NaMg6Fe crystallizes in the orthorhombic Amm2 space group. Na(1) is bonded to two equivalent Mg(4), four equivalent Mg(1), four equivalent Mg(2), and two equivalent Fe(1) atoms to form NaMg10Fe2 cuboctahedra that share corners with four equivalent Fe(1)Na2Mg10 cuboctahedra, corners with six equivalent Na(1)Mg10Fe2 cuboctahedra, corners with eight equivalent Mg(1)Na2Mg8Fe2 cuboctahedra, edges with two equivalent Fe(1)Na2Mg10 cuboctahedra, edges with four equivalent Mg(4)Na2Mg10 cuboctahedra, edges with four equivalent Mg(1)Na2Mg8Fe2 cuboctahedra, faces with two equivalent Na(1)Mg10Fe2 cuboctahedra, faces with two equivalent Mg(4)Na2Mg10 cuboctahedra, faces with two equivalent Fe(1)Na2Mg10 cuboctahedra, faces with four equivalent Mg(1)Na2Mg8Fe2 cuboctahedra, and faces with six equivalent Mg(3)Mg10Fe2 cuboctahedra. There are four inequivalent Mg sites. In the first Mg site, Mg(1) is bonded to two equivalent Na(1), two equivalent Mg(1), two equivalent Mg(2), two equivalent Mg(3), two equivalent Mg(4), and two equivalent Fe(1) atoms to form distorted MgNa2Mg8Fe2 cuboctahedra that share corners with four equivalent Na(1)Mg10Fe2 cuboctahedra, corners with four equivalent Fe(1)Na2Mg10 cuboctahedra, corners with ten equivalent Mg(1)Na2Mg8Fe2 cuboctahedra, edges with two equivalent Na(1)Mg10Fe2 cuboctahedra, edges with two equivalent Mg(1)Na2Mg8Fe2 cuboctahedra, edges with two equivalent Fe(1)Na2Mg10 cuboctahedra, edges with four equivalent Mg(3)Mg10Fe2 cuboctahedra, edges with four equivalent Mg(4)Na2Mg10 cuboctahedra, faces with two equivalent Na(1)Mg10Fe2 cuboctahedra, faces with two equivalent Mg(3)Mg10Fe2 cuboctahedra, faces with two equivalent Mg(4)Na2Mg10 cuboctahedra, faces with two equivalent Fe(1)Na2Mg10 cuboctahedra, and faces with four equivalent Mg(1)Na2Mg8Fe2 cuboctahedra. In the second Mg site, Mg(2) is bonded in a 4-coordinate geometry to two equivalent Na(1), two equivalent Mg(1), two equivalent Mg(3), two equivalent Mg(4), and two equivalent Fe(1) atoms. In the third Mg site, Mg(3) is bonded to two equivalent Mg(4), four equivalent Mg(1), four equivalent Mg(2), and two equivalent Fe(1) atoms to form distorted MgMg10Fe2 cuboctahedra that share corners with four equivalent Mg(4)Na2Mg10 cuboctahedra, corners with six equivalent Mg(3)Mg10Fe2 cuboctahedra, edges with two equivalent Mg(4)Na2Mg10 cuboctahedra, edges with four equivalent Fe(1)Na2Mg10 cuboctahedra, edges with eight equivalent Mg(1)Na2Mg8Fe2 cuboctahedra, faces with two equivalent Mg(3)Mg10Fe2 cuboctahedra, faces with two equivalent Mg(4)Na2Mg10 cuboctahedra, faces with two equivalent Fe(1)Na2Mg10 cuboctahedra, faces with four equivalent Mg(1)Na2Mg8Fe2 cuboctahedra, and faces with six equivalent Na(1)Mg10Fe2 cuboctahedra. In the fourth Mg site, Mg(4) is bonded to two equivalent Na(1), two equivalent Mg(3), four equivalent Mg(1), and four equivalent Mg(2) atoms to form distorted MgNa2Mg10 cuboctahedra that share corners with four equivalent Mg(3)Mg10Fe2 cuboctahedra, corners with six equivalent Mg(4)Na2Mg10 cuboctahedra, edges with two equivalent Mg(3)Mg10Fe2 cuboctahedra, edges with four equivalent Na(1)Mg10Fe2 cuboctahedra, edges with eight equivalent Mg(1)Na2Mg8Fe2 cuboctahedra, faces with two equivalent Na(1)Mg10Fe2 cuboctahedra, faces with two equivalent Mg(3)Mg10Fe2 cuboctahedra, faces with two equivalent Mg(4)Na2Mg10 cuboctahedra, faces with four equivalent Mg(1)Na2Mg8Fe2 cuboctahedra, and faces with six equivalent Fe(1)Na2Mg10 cuboctahedra. Fe(1) is bonded to two equivalent Na(1), two equivalent Mg(3), four equivalent Mg(1), and four equivalent Mg(2) atoms to form FeNa2Mg10 cuboctahedra that share corners with four equivalent Na(1)Mg10Fe2 cuboctahedra, corners with six equivalent Fe(1)Na2Mg10 cuboctahedra, corners with eight equivalent Mg(1)Na2Mg8Fe2 cuboctahedra, edges with two equivalent Na(1)Mg10Fe2 cuboctahedra, edges with four equivalent Mg(3)Mg10Fe2 cuboctahedra, edges with four equivalent Mg(1)Na2Mg8Fe2 cuboctahedra, faces with two equivalent Na(1)Mg10Fe2 cuboctahedra, faces with two equivalent Mg(3)Mg10Fe2 cuboctahedra, faces with two equivalent Fe(1)Na2Mg10 cuboctahedra, faces with four equivalent Mg(1)Na2Mg8Fe2 cuboctahedra, and faces with six equivalent Mg(4)Na2Mg10 cuboctahedra.
NaMg6Fe crystallizes in the orthorhombic Amm2 space group. Na(1) is bonded to two equivalent Mg(4), four equivalent Mg(1), four equivalent Mg(2), and two equivalent Fe(1) atoms to form NaMg10Fe2 cuboctahedra that share corners with four equivalent Fe(1)Na2Mg10 cuboctahedra, corners with six equivalent Na(1)Mg10Fe2 cuboctahedra, corners with eight equivalent Mg(1)Na2Mg8Fe2 cuboctahedra, edges with two equivalent Fe(1)Na2Mg10 cuboctahedra, edges with four equivalent Mg(4)Na2Mg10 cuboctahedra, edges with four equivalent Mg(1)Na2Mg8Fe2 cuboctahedra, faces with two equivalent Na(1)Mg10Fe2 cuboctahedra, faces with two equivalent Mg(4)Na2Mg10 cuboctahedra, faces with two equivalent Fe(1)Na2Mg10 cuboctahedra, faces with four equivalent Mg(1)Na2Mg8Fe2 cuboctahedra, and faces with six equivalent Mg(3)Mg10Fe2 cuboctahedra. Both Na(1)-Mg(4) bond lengths are 3.13 Å. There are two shorter (3.10 Å) and two longer (3.14 Å) Na(1)-Mg(1) bond lengths. All Na(1)-Mg(2) bond lengths are 3.14 Å. Both Na(1)-Fe(1) bond lengths are 3.27 Å. There are four inequivalent Mg sites. In the first Mg site, Mg(1) is bonded to two equivalent Na(1), two equivalent Mg(1), two equivalent Mg(2), two equivalent Mg(3), two equivalent Mg(4), and two equivalent Fe(1) atoms to form distorted MgNa2Mg8Fe2 cuboctahedra that share corners with four equivalent Na(1)Mg10Fe2 cuboctahedra, corners with four equivalent Fe(1)Na2Mg10 cuboctahedra, corners with ten equivalent Mg(1)Na2Mg8Fe2 cuboctahedra, edges with two equivalent Na(1)Mg10Fe2 cuboctahedra, edges with two equivalent Mg(1)Na2Mg8Fe2 cuboctahedra, edges with two equivalent Fe(1)Na2Mg10 cuboctahedra, edges with four equivalent Mg(3)Mg10Fe2 cuboctahedra, edges with four equivalent Mg(4)Na2Mg10 cuboctahedra, faces with two equivalent Na(1)Mg10Fe2 cuboctahedra, faces with two equivalent Mg(3)Mg10Fe2 cuboctahedra, faces with two equivalent Mg(4)Na2Mg10 cuboctahedra, faces with two equivalent Fe(1)Na2Mg10 cuboctahedra, and faces with four equivalent Mg(1)Na2Mg8Fe2 cuboctahedra. Both Mg(1)-Mg(1) bond lengths are 3.27 Å. Both Mg(1)-Mg(2) bond lengths are 3.13 Å. Both Mg(1)-Mg(3) bond lengths are 3.10 Å. Both Mg(1)-Mg(4) bond lengths are 3.08 Å. There is one shorter (3.08 Å) and one longer (3.16 Å) Mg(1)-Fe(1) bond length. In the second Mg site, Mg(2) is bonded in a 4-coordinate geometry to two equivalent Na(1), two equivalent Mg(1), two equivalent Mg(3), two equivalent Mg(4), and two equivalent Fe(1) atoms. There is one shorter (2.97 Å) and one longer (3.26 Å) Mg(2)-Mg(3) bond length. There is one shorter (3.07 Å) and one longer (3.17 Å) Mg(2)-Mg(4) bond length. Both Mg(2)-Fe(1) bond lengths are 3.00 Å. In the third Mg site, Mg(3) is bonded to two equivalent Mg(4), four equivalent Mg(1), four equivalent Mg(2), and two equivalent Fe(1) atoms to form distorted MgMg10Fe2 cuboctahedra that share corners with four equivalent Mg(4)Na2Mg10 cuboctahedra, corners with six equivalent Mg(3)Mg10Fe2 cuboctahedra, edges with two equivalent Mg(4)Na2Mg10 cuboctahedra, edges with four equivalent Fe(1)Na2Mg10 cuboctahedra, edges with eight equivalent Mg(1)Na2Mg8Fe2 cuboctahedra, faces with two equivalent Mg(3)Mg10Fe2 cuboctahedra, faces with two equivalent Mg(4)Na2Mg10 cuboctahedra, faces with two equivalent Fe(1)Na2Mg10 cuboctahedra, faces with four equivalent Mg(1)Na2Mg8Fe2 cuboctahedra, and faces with six equivalent Na(1)Mg10Fe2 cuboctahedra. Both Mg(3)-Mg(4) bond lengths are 3.27 Å. Both Mg(3)-Fe(1) bond lengths are 3.10 Å. In the fourth Mg site, Mg(4) is bonded to two equivalent Na(1), two equivalent Mg(3), four equivalent Mg(1), and four equivalent Mg(2) atoms to form distorted MgNa2Mg10 cuboctahedra that share corners with four equivalent Mg(3)Mg10Fe2 cuboctahedra, corners with six equivalent Mg(4)Na2Mg10 cuboctahedra, edges with two equivalent Mg(3)Mg10Fe2 cuboctahedra, edges with four equivalent Na(1)Mg10Fe2 cuboctahedra, edges with eight equivalent Mg(1)Na2Mg8Fe2 cuboctahedra, faces with two equivalent Na(1)Mg10Fe2 cuboctahedra, faces with two equivalent Mg(3)Mg10Fe2 cuboctahedra, faces with two equivalent Mg(4)Na2Mg10 cuboctahedra, faces with four equivalent Mg(1)Na2Mg8Fe2 cuboctahedra, and faces with six equivalent Fe(1)Na2Mg10 cuboctahedra. Fe(1) is bonded to two equivalent Na(1), two equivalent Mg(3), four equivalent Mg(1), and four equivalent Mg(2) atoms to form FeNa2Mg10 cuboctahedra that share corners with four equivalent Na(1)Mg10Fe2 cuboctahedra, corners with six equivalent Fe(1)Na2Mg10 cuboctahedra, corners with eight equivalent Mg(1)Na2Mg8Fe2 cuboctahedra, edges with two equivalent Na(1)Mg10Fe2 cuboctahedra, edges with four equivalent Mg(3)Mg10Fe2 cuboctahedra, edges with four equivalent Mg(1)Na2Mg8Fe2 cuboctahedra, faces with two equivalent Na(1)Mg10Fe2 cuboctahedra, faces with two equivalent Mg(3)Mg10Fe2 cuboctahedra, faces with two equivalent Fe(1)Na2Mg10 cuboctahedra, faces with four equivalent Mg(1)Na2Mg8Fe2 cuboctahedra, and faces with six equivalent Mg(4)Na2Mg10 cuboctahedra.