NaBaMg6 crystallizes in the orthorhombic Amm2 space group. Na(1) is bonded to two equivalent Ba(1), two equivalent Mg(3), four equivalent Mg(1), and four equivalent Mg(2) atoms to form NaBa2Mg10 cuboctahedra that share corners with four equivalent Ba(1)Na2Mg10 cuboctahedra, corners with six equivalent Na(1)Ba2Mg10 cuboctahedra, corners with eight equivalent Mg(1)Ba2Na2Mg8 cuboctahedra, edges with two equivalent Ba(1)Na2Mg10 cuboctahedra, edges with four equivalent Mg(1)Ba2Na2Mg8 cuboctahedra, faces with two equivalent Na(1)Ba2Mg10 cuboctahedra, faces with two equivalent Ba(1)Na2Mg10 cuboctahedra, and faces with four equivalent Mg(1)Ba2Na2Mg8 cuboctahedra. Ba(1) is bonded to two equivalent Na(1), two equivalent Mg(4), four equivalent Mg(1), and four equivalent Mg(2) atoms to form BaNa2Mg10 cuboctahedra that share corners with four equivalent Na(1)Ba2Mg10 cuboctahedra, corners with six equivalent Ba(1)Na2Mg10 cuboctahedra, corners with eight equivalent Mg(1)Ba2Na2Mg8 cuboctahedra, edges with two equivalent Na(1)Ba2Mg10 cuboctahedra, edges with four equivalent Mg(1)Ba2Na2Mg8 cuboctahedra, faces with two equivalent Na(1)Ba2Mg10 cuboctahedra, faces with two equivalent Ba(1)Na2Mg10 cuboctahedra, and faces with four equivalent Mg(1)Ba2Na2Mg8 cuboctahedra. There are four inequivalent Mg sites. In the first Mg site, Mg(1) is bonded to two equivalent Na(1), two equivalent Ba(1), two equivalent Mg(1), two equivalent Mg(2), two equivalent Mg(3), and two equivalent Mg(4) atoms to form MgBa2Na2Mg8 cuboctahedra that share corners with four equivalent Na(1)Ba2Mg10 cuboctahedra, corners with four equivalent Ba(1)Na2Mg10 cuboctahedra, corners with ten equivalent Mg(1)Ba2Na2Mg8 cuboctahedra, edges with two equivalent Na(1)Ba2Mg10 cuboctahedra, edges with two equivalent Ba(1)Na2Mg10 cuboctahedra, edges with two equivalent Mg(1)Ba2Na2Mg8 cuboctahedra, faces with two equivalent Na(1)Ba2Mg10 cuboctahedra, faces with two equivalent Ba(1)Na2Mg10 cuboctahedra, and faces with four equivalent Mg(1)Ba2Na2Mg8 cuboctahedra. In the second Mg site, Mg(2) is bonded in a 10-coordinate geometry to two equivalent Na(1), two equivalent Ba(1), one Mg(3), one Mg(4), two equivalent Mg(1), and two equivalent Mg(2) atoms. In the third Mg site, Mg(3) is bonded in a distorted water-like geometry to two equivalent Na(1), two equivalent Mg(2), two equivalent Mg(4), and four equivalent Mg(1) atoms. In the fourth Mg site, Mg(4) is bonded in a 10-coordinate geometry to two equivalent Ba(1), two equivalent Mg(2), two equivalent Mg(3), and four equivalent Mg(1) atoms.
NaBaMg6 crystallizes in the orthorhombic Amm2 space group. Na(1) is bonded to two equivalent Ba(1), two equivalent Mg(3), four equivalent Mg(1), and four equivalent Mg(2) atoms to form NaBa2Mg10 cuboctahedra that share corners with four equivalent Ba(1)Na2Mg10 cuboctahedra, corners with six equivalent Na(1)Ba2Mg10 cuboctahedra, corners with eight equivalent Mg(1)Ba2Na2Mg8 cuboctahedra, edges with two equivalent Ba(1)Na2Mg10 cuboctahedra, edges with four equivalent Mg(1)Ba2Na2Mg8 cuboctahedra, faces with two equivalent Na(1)Ba2Mg10 cuboctahedra, faces with two equivalent Ba(1)Na2Mg10 cuboctahedra, and faces with four equivalent Mg(1)Ba2Na2Mg8 cuboctahedra. Both Na(1)-Ba(1) bond lengths are 3.34 Å. Both Na(1)-Mg(3) bond lengths are 3.42 Å. There are two shorter (3.55 Å) and two longer (3.70 Å) Na(1)-Mg(1) bond lengths. All Na(1)-Mg(2) bond lengths are 3.43 Å. Ba(1) is bonded to two equivalent Na(1), two equivalent Mg(4), four equivalent Mg(1), and four equivalent Mg(2) atoms to form BaNa2Mg10 cuboctahedra that share corners with four equivalent Na(1)Ba2Mg10 cuboctahedra, corners with six equivalent Ba(1)Na2Mg10 cuboctahedra, corners with eight equivalent Mg(1)Ba2Na2Mg8 cuboctahedra, edges with two equivalent Na(1)Ba2Mg10 cuboctahedra, edges with four equivalent Mg(1)Ba2Na2Mg8 cuboctahedra, faces with two equivalent Na(1)Ba2Mg10 cuboctahedra, faces with two equivalent Ba(1)Na2Mg10 cuboctahedra, and faces with four equivalent Mg(1)Ba2Na2Mg8 cuboctahedra. Both Ba(1)-Mg(4) bond lengths are 3.48 Å. There are two shorter (3.58 Å) and two longer (3.67 Å) Ba(1)-Mg(1) bond lengths. All Ba(1)-Mg(2) bond lengths are 3.53 Å. There are four inequivalent Mg sites. In the first Mg site, Mg(1) is bonded to two equivalent Na(1), two equivalent Ba(1), two equivalent Mg(1), two equivalent Mg(2), two equivalent Mg(3), and two equivalent Mg(4) atoms to form MgBa2Na2Mg8 cuboctahedra that share corners with four equivalent Na(1)Ba2Mg10 cuboctahedra, corners with four equivalent Ba(1)Na2Mg10 cuboctahedra, corners with ten equivalent Mg(1)Ba2Na2Mg8 cuboctahedra, edges with two equivalent Na(1)Ba2Mg10 cuboctahedra, edges with two equivalent Ba(1)Na2Mg10 cuboctahedra, edges with two equivalent Mg(1)Ba2Na2Mg8 cuboctahedra, faces with two equivalent Na(1)Ba2Mg10 cuboctahedra, faces with two equivalent Ba(1)Na2Mg10 cuboctahedra, and faces with four equivalent Mg(1)Ba2Na2Mg8 cuboctahedra. There is one shorter (3.30 Å) and one longer (3.39 Å) Mg(1)-Mg(1) bond length. Both Mg(1)-Mg(2) bond lengths are 3.22 Å. Both Mg(1)-Mg(3) bond lengths are 3.39 Å. Both Mg(1)-Mg(4) bond lengths are 3.30 Å. In the second Mg site, Mg(2) is bonded in a 10-coordinate geometry to two equivalent Na(1), two equivalent Ba(1), one Mg(3), one Mg(4), two equivalent Mg(1), and two equivalent Mg(2) atoms. The Mg(2)-Mg(3) bond length is 3.42 Å. The Mg(2)-Mg(4) bond length is 3.17 Å. There is one shorter (3.23 Å) and one longer (3.45 Å) Mg(2)-Mg(2) bond length. In the third Mg site, Mg(3) is bonded in a distorted water-like geometry to two equivalent Na(1), two equivalent Mg(2), two equivalent Mg(4), and four equivalent Mg(1) atoms. Both Mg(3)-Mg(4) bond lengths are 3.35 Å. In the fourth Mg site, Mg(4) is bonded in a 10-coordinate geometry to two equivalent Ba(1), two equivalent Mg(2), two equivalent Mg(3), and four equivalent Mg(1) atoms.