NaMg6Mo crystallizes in the orthorhombic Amm2 space group. Na(1) is bonded to two equivalent Mg(2), four equivalent Mg(1), four equivalent Mg(3), and two equivalent Mo(1) atoms to form NaMg10Mo2 cuboctahedra that share corners with four equivalent Mg(2)Na2Mg10 cuboctahedra, corners with six equivalent Na(1)Mg10Mo2 cuboctahedra, edges with two equivalent Mg(2)Na2Mg10 cuboctahedra, edges with four equivalent Mo(1)Na2Mg10 cuboctahedra, faces with two equivalent Na(1)Mg10Mo2 cuboctahedra, faces with two equivalent Mg(2)Na2Mg10 cuboctahedra, faces with two equivalent Mo(1)Na2Mg10 cuboctahedra, and faces with six equivalent Mg(4)Mg10Mo2 cuboctahedra. There are four 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 Mo(1) atoms. In the second Mg site, Mg(2) is bonded to two equivalent Na(1), two equivalent Mg(4), four equivalent Mg(1), and four equivalent Mg(3) atoms to form MgNa2Mg10 cuboctahedra that share corners with four equivalent Na(1)Mg10Mo2 cuboctahedra, corners with six equivalent Mg(2)Na2Mg10 cuboctahedra, edges with two equivalent Na(1)Mg10Mo2 cuboctahedra, edges with four equivalent Mg(4)Mg10Mo2 cuboctahedra, faces with two equivalent Na(1)Mg10Mo2 cuboctahedra, faces with two equivalent Mg(4)Mg10Mo2 cuboctahedra, faces with two equivalent Mg(2)Na2Mg10 cuboctahedra, and faces with six equivalent Mo(1)Na2Mg10 cuboctahedra. In the third Mg site, Mg(3) is bonded in a 4-coordinate geometry to two equivalent Na(1), two equivalent Mg(1), two equivalent Mg(2), two equivalent Mg(4), and two equivalent Mo(1) atoms. In the fourth Mg site, Mg(4) is bonded to two equivalent Mg(2), four equivalent Mg(1), four equivalent Mg(3), and two equivalent Mo(1) atoms to form distorted MgMg10Mo2 cuboctahedra that share corners with four equivalent Mo(1)Na2Mg10 cuboctahedra, corners with six equivalent Mg(4)Mg10Mo2 cuboctahedra, edges with two equivalent Mo(1)Na2Mg10 cuboctahedra, edges with four equivalent Mg(2)Na2Mg10 cuboctahedra, faces with two equivalent Mg(4)Mg10Mo2 cuboctahedra, faces with two equivalent Mg(2)Na2Mg10 cuboctahedra, faces with two equivalent Mo(1)Na2Mg10 cuboctahedra, and faces with six equivalent Na(1)Mg10Mo2 cuboctahedra. Mo(1) is bonded to two equivalent Na(1), two equivalent Mg(4), four equivalent Mg(1), and four equivalent Mg(3) atoms to form MoNa2Mg10 cuboctahedra that share corners with four equivalent Mg(4)Mg10Mo2 cuboctahedra, corners with six equivalent Mo(1)Na2Mg10 cuboctahedra, edges with two equivalent Mg(4)Mg10Mo2 cuboctahedra, edges with four equivalent Na(1)Mg10Mo2 cuboctahedra, faces with two equivalent Na(1)Mg10Mo2 cuboctahedra, faces with two equivalent Mg(4)Mg10Mo2 cuboctahedra, faces with two equivalent Mo(1)Na2Mg10 cuboctahedra, and faces with six equivalent Mg(2)Na2Mg10 cuboctahedra.
NaMg6Mo crystallizes in the orthorhombic Amm2 space group. Na(1) is bonded to two equivalent Mg(2), four equivalent Mg(1), four equivalent Mg(3), and two equivalent Mo(1) atoms to form NaMg10Mo2 cuboctahedra that share corners with four equivalent Mg(2)Na2Mg10 cuboctahedra, corners with six equivalent Na(1)Mg10Mo2 cuboctahedra, edges with two equivalent Mg(2)Na2Mg10 cuboctahedra, edges with four equivalent Mo(1)Na2Mg10 cuboctahedra, faces with two equivalent Na(1)Mg10Mo2 cuboctahedra, faces with two equivalent Mg(2)Na2Mg10 cuboctahedra, faces with two equivalent Mo(1)Na2Mg10 cuboctahedra, and faces with six equivalent Mg(4)Mg10Mo2 cuboctahedra. Both Na(1)-Mg(2) bond lengths are 3.17 Å. There are two shorter (3.01 Å) and two longer (3.26 Å) Na(1)-Mg(1) bond lengths. All Na(1)-Mg(3) bond lengths are 3.11 Å. Both Na(1)-Mo(1) bond lengths are 3.22 Å. There are four 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 Mo(1) atoms. There is one shorter (2.95 Å) and one longer (3.38 Å) Mg(1)-Mg(1) bond length. There is one shorter (3.12 Å) and one longer (3.15 Å) Mg(1)-Mg(2) bond length. Both Mg(1)-Mg(3) bond lengths are 3.17 Å. Both Mg(1)-Mg(4) bond lengths are 3.14 Å. Both Mg(1)-Mo(1) bond lengths are 3.00 Å. In the second Mg site, Mg(2) is bonded to two equivalent Na(1), two equivalent Mg(4), four equivalent Mg(1), and four equivalent Mg(3) atoms to form MgNa2Mg10 cuboctahedra that share corners with four equivalent Na(1)Mg10Mo2 cuboctahedra, corners with six equivalent Mg(2)Na2Mg10 cuboctahedra, edges with two equivalent Na(1)Mg10Mo2 cuboctahedra, edges with four equivalent Mg(4)Mg10Mo2 cuboctahedra, faces with two equivalent Na(1)Mg10Mo2 cuboctahedra, faces with two equivalent Mg(4)Mg10Mo2 cuboctahedra, faces with two equivalent Mg(2)Na2Mg10 cuboctahedra, and faces with six equivalent Mo(1)Na2Mg10 cuboctahedra. Both Mg(2)-Mg(4) bond lengths are 3.14 Å. All Mg(2)-Mg(3) bond lengths are 3.11 Å. In the third Mg site, Mg(3) is bonded in a 4-coordinate geometry to two equivalent Na(1), two equivalent Mg(1), two equivalent Mg(2), two equivalent Mg(4), and two equivalent Mo(1) atoms. There is one shorter (3.11 Å) and one longer (3.16 Å) Mg(3)-Mg(4) bond length. There is one shorter (2.99 Å) and one longer (3.27 Å) Mg(3)-Mo(1) bond length. In the fourth Mg site, Mg(4) is bonded to two equivalent Mg(2), four equivalent Mg(1), four equivalent Mg(3), and two equivalent Mo(1) atoms to form distorted MgMg10Mo2 cuboctahedra that share corners with four equivalent Mo(1)Na2Mg10 cuboctahedra, corners with six equivalent Mg(4)Mg10Mo2 cuboctahedra, edges with two equivalent Mo(1)Na2Mg10 cuboctahedra, edges with four equivalent Mg(2)Na2Mg10 cuboctahedra, faces with two equivalent Mg(4)Mg10Mo2 cuboctahedra, faces with two equivalent Mg(2)Na2Mg10 cuboctahedra, faces with two equivalent Mo(1)Na2Mg10 cuboctahedra, and faces with six equivalent Na(1)Mg10Mo2 cuboctahedra. Both Mg(4)-Mo(1) bond lengths are 3.17 Å. Mo(1) is bonded to two equivalent Na(1), two equivalent Mg(4), four equivalent Mg(1), and four equivalent Mg(3) atoms to form MoNa2Mg10 cuboctahedra that share corners with four equivalent Mg(4)Mg10Mo2 cuboctahedra, corners with six equivalent Mo(1)Na2Mg10 cuboctahedra, edges with two equivalent Mg(4)Mg10Mo2 cuboctahedra, edges with four equivalent Na(1)Mg10Mo2 cuboctahedra, faces with two equivalent Na(1)Mg10Mo2 cuboctahedra, faces with two equivalent Mg(4)Mg10Mo2 cuboctahedra, faces with two equivalent Mo(1)Na2Mg10 cuboctahedra, and faces with six equivalent Mg(2)Na2Mg10 cuboctahedra.