NaMg6Fe crystallizes in the orthorhombic Amm2 space group. Na(1) is bonded to two equivalent Mg(4); four Mg(1,1); four Mg(3,3); and two equivalent Fe(1) atoms to form NaMg10Fe2 cuboctahedra that share corners with four equivalent Mg(4)Na2Mg10 cuboctahedra, corners with six equivalent Na(1)Mg10Fe2 cuboctahedra, edges with two equivalent Mg(4)Na2Mg10 cuboctahedra, edges with four equivalent Fe(1)Na2Mg10 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, and faces with six equivalent Mg(2)Mg10Fe2 cuboctahedra. There are seven inequivalent Mg sites. In the first Mg site, Mg(1) is bonded in a 12-coordinate geometry 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. In the second Mg site, Mg(1) is bonded in a 12-coordinate geometry 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. In the third Mg site, Mg(2) is bonded to two equivalent Mg(4); four Mg(1,1,1); four Mg(3,3); and two equivalent Fe(1) atoms to form distorted MgMg10Fe2 cuboctahedra that share corners with four equivalent Fe(1)Na2Mg10 cuboctahedra, corners with six equivalent Mg(2)Mg10Fe2 cuboctahedra, edges with two equivalent Fe(1)Na2Mg10 cuboctahedra, edges with four equivalent Mg(4)Na2Mg10 cuboctahedra, faces with two equivalent Mg(2)Mg10Fe2 cuboctahedra, faces with two equivalent Mg(4)Na2Mg10 cuboctahedra, faces with two equivalent Fe(1)Na2Mg10 cuboctahedra, and faces with six equivalent Na(1)Mg10Fe2 cuboctahedra. In the fourth Mg site, Mg(3) is bonded in a 12-coordinate geometry 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. In the fifth Mg site, Mg(3) is bonded in a 12-coordinate geometry 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. In the sixth Mg site, Mg(4) is bonded to two equivalent Na(1); two equivalent Mg(2); four Mg(1,1); and four Mg(3,3) atoms to form MgNa2Mg10 cuboctahedra that share corners with four equivalent Na(1)Mg10Fe2 cuboctahedra, corners with six equivalent Mg(4)Na2Mg10 cuboctahedra, edges with two equivalent Na(1)Mg10Fe2 cuboctahedra, edges with four equivalent Mg(2)Mg10Fe2 cuboctahedra, faces with two equivalent Na(1)Mg10Fe2 cuboctahedra, faces with two equivalent Mg(2)Mg10Fe2 cuboctahedra, faces with two equivalent Mg(4)Na2Mg10 cuboctahedra, and faces with six equivalent Fe(1)Na2Mg10 cuboctahedra. In the seventh Mg site, Mg(1) is bonded in a 12-coordinate geometry 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. Fe(1) is bonded to two equivalent Na(1); two equivalent Mg(2); four Mg(1,1,1); and four equivalent Mg(3) atoms to form distorted FeNa2Mg10 cuboctahedra that share corners with four equivalent Mg(2)Mg10Fe2 cuboctahedra, corners with six equivalent Fe(1)Na2Mg10 cuboctahedra, edges with two equivalent Mg(2)Mg10Fe2 cuboctahedra, edges with four equivalent Na(1)Mg10Fe2 cuboctahedra, faces with two equivalent Na(1)Mg10Fe2 cuboctahedra, faces with two equivalent Mg(2)Mg10Fe2 cuboctahedra, faces with two equivalent Fe(1)Na2Mg10 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 Mg(1,1); four Mg(3,3); and two equivalent Fe(1) atoms to form NaMg10Fe2 cuboctahedra that share corners with four equivalent Mg(4)Na2Mg10 cuboctahedra, corners with six equivalent Na(1)Mg10Fe2 cuboctahedra, edges with two equivalent Mg(4)Na2Mg10 cuboctahedra, edges with four equivalent Fe(1)Na2Mg10 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, and faces with six equivalent Mg(2)Mg10Fe2 cuboctahedra. Both Na(1)-Mg(4) bond lengths are 3.16 Å. All Na(1)-Mg(1,1) bond lengths are 3.10 Å. There are two shorter (2.95 Å) and two longer (3.27 Å) Na(1)-Mg(3,3) bond lengths. Both Na(1)-Fe(1) bond lengths are 3.23 Å. There are seven inequivalent Mg sites. In the first Mg site, Mg(1) is bonded in a 12-coordinate geometry 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. There is one shorter (3.10 Å) and one longer (3.22 Å) Mg(1)-Mg(1) bond length. There is one shorter (3.08 Å) and one longer (3.14 Å) Mg(1)-Mg(2) bond length. Both Mg(1)-Mg(3) bond lengths are 3.12 Å. Both Mg(1)-Mg(4) bond lengths are 3.06 Å. There is one shorter (2.84 Å) and one longer (3.38 Å) Mg(1)-Fe(1) bond length. In the second Mg site, Mg(1) is bonded in a 12-coordinate geometry 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. There is one shorter (3.08 Å) and one longer (3.14 Å) Mg(1)-Mg(2) bond length. Both Mg(1)-Mg(3) bond lengths are 3.12 Å. Both Mg(1)-Mg(4) bond lengths are 3.06 Å. There is one shorter (2.84 Å) and one longer (3.38 Å) Mg(1)-Fe(1) bond length. In the third Mg site, Mg(2) is bonded to two equivalent Mg(4); four Mg(1,1,1); four Mg(3,3); and two equivalent Fe(1) atoms to form distorted MgMg10Fe2 cuboctahedra that share corners with four equivalent Fe(1)Na2Mg10 cuboctahedra, corners with six equivalent Mg(2)Mg10Fe2 cuboctahedra, edges with two equivalent Fe(1)Na2Mg10 cuboctahedra, edges with four equivalent Mg(4)Na2Mg10 cuboctahedra, faces with two equivalent Mg(2)Mg10Fe2 cuboctahedra, faces with two equivalent Mg(4)Na2Mg10 cuboctahedra, faces with two equivalent Fe(1)Na2Mg10 cuboctahedra, and faces with six equivalent Na(1)Mg10Fe2 cuboctahedra. Both Mg(2)-Mg(4) bond lengths are 3.10 Å. The Mg(2)-Mg(1) bond length is 3.14 Å. All Mg(2)-Mg(3,3) bond lengths are 3.10 Å. Both Mg(2)-Fe(1) bond lengths are 3.17 Å. In the fourth Mg site, Mg(3) is bonded in a 12-coordinate geometry 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. There is one shorter (2.90 Å) and one longer (3.42 Å) Mg(3)-Mg(3) bond length. There is one shorter (3.10 Å) and one longer (3.13 Å) Mg(3)-Mg(4) bond length. Both Mg(3)-Fe(1) bond lengths are 2.92 Å. In the fifth Mg site, Mg(3) is bonded in a 12-coordinate geometry 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. There is one shorter (3.10 Å) and one longer (3.13 Å) Mg(3)-Mg(4) bond length. Both Mg(3)-Fe(1) bond lengths are 2.92 Å. In the sixth Mg site, Mg(4) is bonded to two equivalent Na(1); two equivalent Mg(2); four Mg(1,1); and four Mg(3,3) atoms to form MgNa2Mg10 cuboctahedra that share corners with four equivalent Na(1)Mg10Fe2 cuboctahedra, corners with six equivalent Mg(4)Na2Mg10 cuboctahedra, edges with two equivalent Na(1)Mg10Fe2 cuboctahedra, edges with four equivalent Mg(2)Mg10Fe2 cuboctahedra, faces with two equivalent Na(1)Mg10Fe2 cuboctahedra, faces with two equivalent Mg(2)Mg10Fe2 cuboctahedra, faces with two equivalent Mg(4)Na2Mg10 cuboctahedra, and faces with six equivalent Fe(1)Na2Mg10 cuboctahedra. Both Mg(4)-Mg(1) bond lengths are 3.06 Å. In the seventh Mg site, Mg(1) is bonded in a 12-coordinate geometry 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. Both Mg(1)-Na(1) bond lengths are 3.10 Å. There is one shorter (3.10 Å) and one longer (3.22 Å) Mg(1)-Mg(1) bond length. Both Mg(1)-Mg(3) bond lengths are 3.12 Å. There is one shorter (2.84 Å) and one longer (3.38 Å) Mg(1)-Fe(1) bond length. Fe(1) is bonded to two equivalent Na(1); two equivalent Mg(2); four Mg(1,1,1); and four equivalent Mg(3) atoms to form distorted FeNa2Mg10 cuboctahedra that share corners with four equivalent Mg(2)Mg10Fe2 cuboctahedra, corners with six equivalent Fe(1)Na2Mg10 cuboctahedra, edges with two equivalent Mg(2)Mg10Fe2 cuboctahedra, edges with four equivalent Na(1)Mg10Fe2 cuboctahedra, faces with two equivalent Na(1)Mg10Fe2 cuboctahedra, faces with two equivalent Mg(2)Mg10Fe2 cuboctahedra, faces with two equivalent Fe(1)Na2Mg10 cuboctahedra, and faces with six equivalent Mg(4)Na2Mg10 cuboctahedra.