Na4Mg(MoO4)2 is Clathrate-derived structured and crystallizes in the triclinic P1 space group. There are four inequivalent Na sites. In the first Na site, Na(1) is bonded to one O(1), one O(3), one O(6), and one O(8) atom to form distorted NaO4 trigonal pyramids that share  a cornercorner with one Mg(1)O4 tetrahedra, corners with two equivalent Mo(1)O4 tetrahedra, corners with two equivalent Mo(2)O4 tetrahedra, corners with two equivalent Na(3)O4 trigonal pyramids, corners with two equivalent Na(4)O4 trigonal pyramids, and  an edgeedge with one Na(2)O4 trigonal pyramid. In the second Na site, Na(2) is bonded to one O(2), one O(4), one O(6), and one O(8) atom to form distorted NaO4 trigonal pyramids that share  a cornercorner with one Mg(1)O4 tetrahedra, corners with two equivalent Mo(1)O4 tetrahedra, corners with two equivalent Mo(2)O4 tetrahedra, corners with two equivalent Na(3)O4 trigonal pyramids, corners with two equivalent Na(4)O4 trigonal pyramids, and  an edgeedge with one Na(1)O4 trigonal pyramid. In the third Na site, Na(3) is bonded to one O(1), one O(4), one O(6), and one O(7) atom to form NaO4 trigonal pyramids that share  a cornercorner with one Mg(1)O4 tetrahedra, corners with two equivalent Mo(1)O4 tetrahedra, corners with two equivalent Mo(2)O4 tetrahedra, corners with two equivalent Na(1)O4 trigonal pyramids, corners with two equivalent Na(2)O4 trigonal pyramids, and  an edgeedge with one Na(4)O4 trigonal pyramid. In the fourth Na site, Na(4) is bonded to one O(1), one O(4), one O(5), and one O(8) atom to form NaO4 trigonal pyramids that share  a cornercorner with one Mg(1)O4 tetrahedra, corners with two equivalent Mo(1)O4 tetrahedra, corners with two equivalent Mo(2)O4 tetrahedra, corners with two equivalent Na(1)O4 trigonal pyramids, corners with two equivalent Na(2)O4 trigonal pyramids, and  an edgeedge with one Na(3)O4 trigonal pyramid. Mg(1) is bonded to one O(2), one O(3), one O(5), and one O(7) atom to form MgO4 tetrahedra that share corners with two equivalent Mo(2)O4 tetrahedra,  a cornercorner with one Na(1)O4 trigonal pyramid,  a cornercorner with one Na(2)O4 trigonal pyramid,  a cornercorner with one Na(3)O4 trigonal pyramid,  a cornercorner with one Na(4)O4 trigonal pyramid, and  an edgeedge with one Mo(1)O4 tetrahedra. There are two inequivalent Mo sites. In the first Mo site, Mo(1) is bonded to one O(5), one O(6), one O(7), and one O(8) atom to form MoO4 tetrahedra that share corners with two equivalent Na(1)O4 trigonal pyramids, corners with two equivalent Na(2)O4 trigonal pyramids, corners with two equivalent Na(3)O4 trigonal pyramids, corners with two equivalent Na(4)O4 trigonal pyramids, and  an edgeedge with one Mg(1)O4 tetrahedra. In the second Mo site, Mo(2) is bonded to one O(1), one O(2), one O(3), and one O(4) atom to form MoO4 tetrahedra that share corners with two equivalent Mg(1)O4 tetrahedra, corners with two equivalent Na(1)O4 trigonal pyramids, corners with two equivalent Na(2)O4 trigonal pyramids, corners with two equivalent Na(3)O4 trigonal pyramids, and corners with two equivalent Na(4)O4 trigonal pyramids. There are eight inequivalent O sites. In the first O site, O(1) is bonded to one Na(1), one Na(3), one Na(4), and one Mo(2) atom to form a mixture of distorted corner and edge-sharing ONa3Mo trigonal pyramids. In the second O site, O(2) is bonded in a distorted trigonal non-coplanar geometry to one Na(2), one Mg(1), and one Mo(2) atom. In the third O site, O(3) is bonded in a distorted trigonal non-coplanar geometry to one Na(1), one Mg(1), and one Mo(2) atom. In the fourth O site, O(4) is bonded to one Na(2), one Na(3), one Na(4), and one Mo(2) atom to form a mixture of distorted corner and edge-sharing ONa3Mo trigonal pyramids. In the fifth O site, O(5) is bonded in a T-shaped geometry to one Na(4), one Mg(1), and one Mo(1) atom. In the sixth O site, O(6) is bonded to one Na(1), one Na(2), one Na(3), and one Mo(1) atom to form a mixture of corner and edge-sharing ONa3Mo tetrahedra. In the seventh O site, O(7) is bonded in a T-shaped geometry to one Na(3), one Mg(1), and one Mo(1) atom. In the eighth O site, O(8) is bonded to one Na(1), one Na(2), one Na(4), and one Mo(1) atom to form a mixture of corner and edge-sharing ONa3Mo tetrahedra.
Na4Mg(MoO4)2 is Clathrate-derived structured and crystallizes in the triclinic P1 space group. There are four inequivalent Na sites. In the first Na site, Na(1) is bonded to one O(1), one O(3), one O(6), and one O(8) atom to form distorted NaO4 trigonal pyramids that share  a cornercorner with one Mg(1)O4 tetrahedra, corners with two equivalent Mo(1)O4 tetrahedra, corners with two equivalent Mo(2)O4 tetrahedra, corners with two equivalent Na(3)O4 trigonal pyramids, corners with two equivalent Na(4)O4 trigonal pyramids, and  an edgeedge with one Na(2)O4 trigonal pyramid. The Na(1)-O(1) bond length is 2.32 Å. The Na(1)-O(3) bond length is 2.30 Å. The Na(1)-O(6) bond length is 2.35 Å. The Na(1)-O(8) bond length is 2.41 Å. In the second Na site, Na(2) is bonded to one O(2), one O(4), one O(6), and one O(8) atom to form distorted NaO4 trigonal pyramids that share  a cornercorner with one Mg(1)O4 tetrahedra, corners with two equivalent Mo(1)O4 tetrahedra, corners with two equivalent Mo(2)O4 tetrahedra, corners with two equivalent Na(3)O4 trigonal pyramids, corners with two equivalent Na(4)O4 trigonal pyramids, and  an edgeedge with one Na(1)O4 trigonal pyramid. The Na(2)-O(2) bond length is 2.30 Å. The Na(2)-O(4) bond length is 2.32 Å. The Na(2)-O(6) bond length is 2.40 Å. The Na(2)-O(8) bond length is 2.34 Å. In the third Na site, Na(3) is bonded to one O(1), one O(4), one O(6), and one O(7) atom to form NaO4 trigonal pyramids that share  a cornercorner with one Mg(1)O4 tetrahedra, corners with two equivalent Mo(1)O4 tetrahedra, corners with two equivalent Mo(2)O4 tetrahedra, corners with two equivalent Na(1)O4 trigonal pyramids, corners with two equivalent Na(2)O4 trigonal pyramids, and  an edgeedge with one Na(4)O4 trigonal pyramid. The Na(3)-O(1) bond length is 2.44 Å. The Na(3)-O(4) bond length is 2.30 Å. The Na(3)-O(6) bond length is 2.39 Å. The Na(3)-O(7) bond length is 2.31 Å. In the fourth Na site, Na(4) is bonded to one O(1), one O(4), one O(5), and one O(8) atom to form NaO4 trigonal pyramids that share  a cornercorner with one Mg(1)O4 tetrahedra, corners with two equivalent Mo(1)O4 tetrahedra, corners with two equivalent Mo(2)O4 tetrahedra, corners with two equivalent Na(1)O4 trigonal pyramids, corners with two equivalent Na(2)O4 trigonal pyramids, and  an edgeedge with one Na(3)O4 trigonal pyramid. The Na(4)-O(1) bond length is 2.30 Å. The Na(4)-O(4) bond length is 2.42 Å. The Na(4)-O(5) bond length is 2.31 Å. The Na(4)-O(8) bond length is 2.38 Å. Mg(1) is bonded to one O(2), one O(3), one O(5), and one O(7) atom to form MgO4 tetrahedra that share corners with two equivalent Mo(2)O4 tetrahedra,  a cornercorner with one Na(1)O4 trigonal pyramid,  a cornercorner with one Na(2)O4 trigonal pyramid,  a cornercorner with one Na(3)O4 trigonal pyramid,  a cornercorner with one Na(4)O4 trigonal pyramid, and  an edgeedge with one Mo(1)O4 tetrahedra. The Mg(1)-O(2) bond length is 1.96 Å. The Mg(1)-O(3) bond length is 1.96 Å. The Mg(1)-O(5) bond length is 2.00 Å. The Mg(1)-O(7) bond length is 2.00 Å. There are two inequivalent Mo sites. In the first Mo site, Mo(1) is bonded to one O(5), one O(6), one O(7), and one O(8) atom to form MoO4 tetrahedra that share corners with two equivalent Na(1)O4 trigonal pyramids, corners with two equivalent Na(2)O4 trigonal pyramids, corners with two equivalent Na(3)O4 trigonal pyramids, corners with two equivalent Na(4)O4 trigonal pyramids, and  an edgeedge with one Mg(1)O4 tetrahedra. The Mo(1)-O(5) bond length is 1.92 Å. The Mo(1)-O(6) bond length is 1.84 Å. The Mo(1)-O(7) bond length is 1.92 Å. The Mo(1)-O(8) bond length is 1.84 Å. In the second Mo site, Mo(2) is bonded to one O(1), one O(2), one O(3), and one O(4) atom to form MoO4 tetrahedra that share corners with two equivalent Mg(1)O4 tetrahedra, corners with two equivalent Na(1)O4 trigonal pyramids, corners with two equivalent Na(2)O4 trigonal pyramids, corners with two equivalent Na(3)O4 trigonal pyramids, and corners with two equivalent Na(4)O4 trigonal pyramids. The Mo(2)-O(1) bond length is 1.86 Å. The Mo(2)-O(2) bond length is 1.90 Å. The Mo(2)-O(3) bond length is 1.90 Å. The Mo(2)-O(4) bond length is 1.86 Å. There are eight inequivalent O sites. In the first O site, O(1) is bonded to one Na(1), one Na(3), one Na(4), and one Mo(2) atom to form a mixture of distorted corner and edge-sharing ONa3Mo trigonal pyramids. In the second O site, O(2) is bonded in a distorted trigonal non-coplanar geometry to one Na(2), one Mg(1), and one Mo(2) atom. In the third O site, O(3) is bonded in a distorted trigonal non-coplanar geometry to one Na(1), one Mg(1), and one Mo(2) atom. In the fourth O site, O(4) is bonded to one Na(2), one Na(3), one Na(4), and one Mo(2) atom to form a mixture of distorted corner and edge-sharing ONa3Mo trigonal pyramids. In the fifth O site, O(5) is bonded in a T-shaped geometry to one Na(4), one Mg(1), and one Mo(1) atom. In the sixth O site, O(6) is bonded to one Na(1), one Na(2), one Na(3), and one Mo(1) atom to form a mixture of corner and edge-sharing ONa3Mo tetrahedra. In the seventh O site, O(7) is bonded in a T-shaped geometry to one Na(3), one Mg(1), and one Mo(1) atom. In the eighth O site, O(8) is bonded to one Na(1), one Na(2), one Na(4), and one Mo(1) atom to form a mixture of corner and edge-sharing ONa3Mo tetrahedra.