NaCaMg6 crystallizes in the orthorhombic Amm2 space group. Na(1) is bonded to two equivalent Ca(1), two equivalent Mg(4), four equivalent Mg(1), and four equivalent Mg(2) atoms to form NaCa2Mg10 cuboctahedra that share corners with four equivalent Ca(1)Na2Mg10 cuboctahedra, corners with six equivalent Na(1)Ca2Mg10 cuboctahedra, corners with eight equivalent Mg(1)Na2Ca2Mg8 cuboctahedra, edges with two equivalent Ca(1)Na2Mg10 cuboctahedra, edges with four equivalent Mg(1)Na2Ca2Mg8 cuboctahedra, edges with four equivalent Mg(4)Na2Mg10 cuboctahedra, faces with two equivalent Na(1)Ca2Mg10 cuboctahedra, faces with two equivalent Ca(1)Na2Mg10 cuboctahedra, faces with two equivalent Mg(4)Na2Mg10 cuboctahedra, faces with four equivalent Mg(1)Na2Ca2Mg8 cuboctahedra, and faces with six equivalent Mg(3)Ca2Mg10 cuboctahedra. Ca(1) is bonded to two equivalent Na(1), two equivalent Mg(3), four equivalent Mg(1), and four equivalent Mg(2) atoms to form CaNa2Mg10 cuboctahedra that share corners with four equivalent Na(1)Ca2Mg10 cuboctahedra, corners with six equivalent Ca(1)Na2Mg10 cuboctahedra, corners with eight equivalent Mg(1)Na2Ca2Mg8 cuboctahedra, edges with two equivalent Na(1)Ca2Mg10 cuboctahedra, edges with four equivalent Mg(3)Ca2Mg10 cuboctahedra, edges with four equivalent Mg(1)Na2Ca2Mg8 cuboctahedra, faces with two equivalent Na(1)Ca2Mg10 cuboctahedra, faces with two equivalent Ca(1)Na2Mg10 cuboctahedra, faces with two equivalent Mg(3)Ca2Mg10 cuboctahedra, faces with four equivalent Mg(1)Na2Ca2Mg8 cuboctahedra, and faces with six equivalent Mg(4)Na2Mg10 cuboctahedra. There are four inequivalent Mg sites. In the first Mg site, Mg(1) is bonded to two equivalent Na(1), two equivalent Ca(1), two equivalent Mg(1), two equivalent Mg(2), two equivalent Mg(3), and two equivalent Mg(4) atoms to form MgNa2Ca2Mg8 cuboctahedra that share corners with four equivalent Na(1)Ca2Mg10 cuboctahedra, corners with four equivalent Ca(1)Na2Mg10 cuboctahedra, corners with ten equivalent Mg(1)Na2Ca2Mg8 cuboctahedra, edges with two equivalent Na(1)Ca2Mg10 cuboctahedra, edges with two equivalent Ca(1)Na2Mg10 cuboctahedra, edges with two equivalent Mg(1)Na2Ca2Mg8 cuboctahedra, edges with four equivalent Mg(3)Ca2Mg10 cuboctahedra, edges with four equivalent Mg(4)Na2Mg10 cuboctahedra, faces with two equivalent Na(1)Ca2Mg10 cuboctahedra, faces with two equivalent Ca(1)Na2Mg10 cuboctahedra, faces with two equivalent Mg(3)Ca2Mg10 cuboctahedra, faces with two equivalent Mg(4)Na2Mg10 cuboctahedra, and faces with four equivalent Mg(1)Na2Ca2Mg8 cuboctahedra. In the second Mg site, Mg(2) is bonded in a 12-coordinate geometry to two equivalent Na(1), two equivalent Ca(1), two equivalent Mg(1), two equivalent Mg(2), two equivalent Mg(3), and two equivalent Mg(4) atoms. In the third Mg site, Mg(3) is bonded to two equivalent Ca(1), two equivalent Mg(4), four equivalent Mg(1), and four equivalent Mg(2) atoms to form distorted MgCa2Mg10 cuboctahedra that share corners with four equivalent Mg(4)Na2Mg10 cuboctahedra, corners with six equivalent Mg(3)Ca2Mg10 cuboctahedra, edges with two equivalent Mg(4)Na2Mg10 cuboctahedra, edges with four equivalent Ca(1)Na2Mg10 cuboctahedra, edges with eight equivalent Mg(1)Na2Ca2Mg8 cuboctahedra, faces with two equivalent Ca(1)Na2Mg10 cuboctahedra, faces with two equivalent Mg(3)Ca2Mg10 cuboctahedra, faces with two equivalent Mg(4)Na2Mg10 cuboctahedra, faces with four equivalent Mg(1)Na2Ca2Mg8 cuboctahedra, and faces with six equivalent Na(1)Ca2Mg10 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)Ca2Mg10 cuboctahedra, corners with six equivalent Mg(4)Na2Mg10 cuboctahedra, edges with two equivalent Mg(3)Ca2Mg10 cuboctahedra, edges with four equivalent Na(1)Ca2Mg10 cuboctahedra, edges with eight equivalent Mg(1)Na2Ca2Mg8 cuboctahedra, faces with two equivalent Na(1)Ca2Mg10 cuboctahedra, faces with two equivalent Mg(3)Ca2Mg10 cuboctahedra, faces with two equivalent Mg(4)Na2Mg10 cuboctahedra, faces with four equivalent Mg(1)Na2Ca2Mg8 cuboctahedra, and faces with six equivalent Ca(1)Na2Mg10 cuboctahedra.
NaCaMg6 crystallizes in the orthorhombic Amm2 space group. Na(1) is bonded to two equivalent Ca(1), two equivalent Mg(4), four equivalent Mg(1), and four equivalent Mg(2) atoms to form NaCa2Mg10 cuboctahedra that share corners with four equivalent Ca(1)Na2Mg10 cuboctahedra, corners with six equivalent Na(1)Ca2Mg10 cuboctahedra, corners with eight equivalent Mg(1)Na2Ca2Mg8 cuboctahedra, edges with two equivalent Ca(1)Na2Mg10 cuboctahedra, edges with four equivalent Mg(1)Na2Ca2Mg8 cuboctahedra, edges with four equivalent Mg(4)Na2Mg10 cuboctahedra, faces with two equivalent Na(1)Ca2Mg10 cuboctahedra, faces with two equivalent Ca(1)Na2Mg10 cuboctahedra, faces with two equivalent Mg(4)Na2Mg10 cuboctahedra, faces with four equivalent Mg(1)Na2Ca2Mg8 cuboctahedra, and faces with six equivalent Mg(3)Ca2Mg10 cuboctahedra. Both Na(1)-Ca(1) bond lengths are 3.32 Å. Both Na(1)-Mg(4) bond lengths are 3.35 Å. There are two shorter (3.35 Å) and two longer (3.41 Å) Na(1)-Mg(1) bond lengths. All Na(1)-Mg(2) bond lengths are 3.32 Å. Ca(1) is bonded to two equivalent Na(1), two equivalent Mg(3), four equivalent Mg(1), and four equivalent Mg(2) atoms to form CaNa2Mg10 cuboctahedra that share corners with four equivalent Na(1)Ca2Mg10 cuboctahedra, corners with six equivalent Ca(1)Na2Mg10 cuboctahedra, corners with eight equivalent Mg(1)Na2Ca2Mg8 cuboctahedra, edges with two equivalent Na(1)Ca2Mg10 cuboctahedra, edges with four equivalent Mg(3)Ca2Mg10 cuboctahedra, edges with four equivalent Mg(1)Na2Ca2Mg8 cuboctahedra, faces with two equivalent Na(1)Ca2Mg10 cuboctahedra, faces with two equivalent Ca(1)Na2Mg10 cuboctahedra, faces with two equivalent Mg(3)Ca2Mg10 cuboctahedra, faces with four equivalent Mg(1)Na2Ca2Mg8 cuboctahedra, and faces with six equivalent Mg(4)Na2Mg10 cuboctahedra. Both Ca(1)-Mg(3) bond lengths are 3.35 Å. All Ca(1)-Mg(1) bond lengths are 3.38 Å. All Ca(1)-Mg(2) bond lengths are 3.34 Å. There are four inequivalent Mg sites. In the first Mg site, Mg(1) is bonded to two equivalent Na(1), two equivalent Ca(1), two equivalent Mg(1), two equivalent Mg(2), two equivalent Mg(3), and two equivalent Mg(4) atoms to form MgNa2Ca2Mg8 cuboctahedra that share corners with four equivalent Na(1)Ca2Mg10 cuboctahedra, corners with four equivalent Ca(1)Na2Mg10 cuboctahedra, corners with ten equivalent Mg(1)Na2Ca2Mg8 cuboctahedra, edges with two equivalent Na(1)Ca2Mg10 cuboctahedra, edges with two equivalent Ca(1)Na2Mg10 cuboctahedra, edges with two equivalent Mg(1)Na2Ca2Mg8 cuboctahedra, edges with four equivalent Mg(3)Ca2Mg10 cuboctahedra, edges with four equivalent Mg(4)Na2Mg10 cuboctahedra, faces with two equivalent Na(1)Ca2Mg10 cuboctahedra, faces with two equivalent Ca(1)Na2Mg10 cuboctahedra, faces with two equivalent Mg(3)Ca2Mg10 cuboctahedra, faces with two equivalent Mg(4)Na2Mg10 cuboctahedra, and faces with four equivalent Mg(1)Na2Ca2Mg8 cuboctahedra. There is one shorter (3.28 Å) and one longer (3.35 Å) Mg(1)-Mg(1) bond length. Both Mg(1)-Mg(2) bond lengths are 3.29 Å. Both Mg(1)-Mg(3) bond lengths are 3.30 Å. Both Mg(1)-Mg(4) bond lengths are 3.32 Å. In the second Mg site, Mg(2) is bonded in a 12-coordinate geometry to two equivalent Na(1), two equivalent Ca(1), two equivalent Mg(1), two equivalent Mg(2), two equivalent Mg(3), and two equivalent Mg(4) atoms. There is one shorter (3.29 Å) and one longer (3.34 Å) Mg(2)-Mg(2) bond length. There is one shorter (3.29 Å) and one longer (3.48 Å) Mg(2)-Mg(3) bond length. There is one shorter (3.32 Å) and one longer (3.45 Å) Mg(2)-Mg(4) bond length. In the third Mg site, Mg(3) is bonded to two equivalent Ca(1), two equivalent Mg(4), four equivalent Mg(1), and four equivalent Mg(2) atoms to form distorted MgCa2Mg10 cuboctahedra that share corners with four equivalent Mg(4)Na2Mg10 cuboctahedra, corners with six equivalent Mg(3)Ca2Mg10 cuboctahedra, edges with two equivalent Mg(4)Na2Mg10 cuboctahedra, edges with four equivalent Ca(1)Na2Mg10 cuboctahedra, edges with eight equivalent Mg(1)Na2Ca2Mg8 cuboctahedra, faces with two equivalent Ca(1)Na2Mg10 cuboctahedra, faces with two equivalent Mg(3)Ca2Mg10 cuboctahedra, faces with two equivalent Mg(4)Na2Mg10 cuboctahedra, faces with four equivalent Mg(1)Na2Ca2Mg8 cuboctahedra, and faces with six equivalent Na(1)Ca2Mg10 cuboctahedra. Both Mg(3)-Mg(4) bond lengths are 3.32 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)Ca2Mg10 cuboctahedra, corners with six equivalent Mg(4)Na2Mg10 cuboctahedra, edges with two equivalent Mg(3)Ca2Mg10 cuboctahedra, edges with four equivalent Na(1)Ca2Mg10 cuboctahedra, edges with eight equivalent Mg(1)Na2Ca2Mg8 cuboctahedra, faces with two equivalent Na(1)Ca2Mg10 cuboctahedra, faces with two equivalent Mg(3)Ca2Mg10 cuboctahedra, faces with two equivalent Mg(4)Na2Mg10 cuboctahedra, faces with four equivalent Mg(1)Na2Ca2Mg8 cuboctahedra, and faces with six equivalent Ca(1)Na2Mg10 cuboctahedra.