Na3Mg4(MoO4)6 crystallizes in the triclinic P-1 space group. There are two inequivalent Na sites. In the first Na site, Na(1) is bonded to one O(12), one O(4), one O(6), one O(7), and one O(8) atom to form NaO5 trigonal bipyramids that share  a cornercorner with one Na(2)O6 octahedra,  a cornercorner with one Mo(2)O4 tetrahedra, corners with two equivalent Mo(1)O4 tetrahedra, corners with two equivalent Mo(3)O4 tetrahedra,  an edgeedge with one Mg(1)O6 octahedra, and  an edgeedge with one Mg(2)O6 octahedra. The corner-sharing octahedral tilt angles are 60°. In the second Na site, Na(2) is bonded to two equivalent O(1), two equivalent O(10), and two equivalent O(7) atoms to form distorted NaO6 octahedra that share corners with two equivalent Mg(2)O6 octahedra, corners with two equivalent Mo(1)O4 tetrahedra, corners with two equivalent Mo(2)O4 tetrahedra, corners with two equivalent Mo(3)O4 tetrahedra, and corners with two equivalent Na(1)O5 trigonal bipyramids. The corner-sharing octahedral tilt angles are 62°. There are two inequivalent Mg sites. In the first Mg site, Mg(1) is bonded to one O(11), one O(12), one O(2), one O(8), and two equivalent O(5) atoms to form MgO6 octahedra that share corners with two equivalent Mo(1)O4 tetrahedra, corners with two equivalent Mo(2)O4 tetrahedra, corners with two equivalent Mo(3)O4 tetrahedra,  an edgeedge with one Mg(1)O6 octahedra, and  an edgeedge with one Na(1)O5 trigonal bipyramid. In the second Mg site, Mg(2) is bonded to one O(10), one O(3), one O(4), one O(6), and two equivalent O(9) atoms to form MgO6 octahedra that share  a cornercorner with one Na(2)O6 octahedra,  a cornercorner with one Mo(1)O4 tetrahedra, corners with two equivalent Mo(3)O4 tetrahedra, corners with three equivalent Mo(2)O4 tetrahedra,  an edgeedge with one Mg(2)O6 octahedra, and  an edgeedge with one Na(1)O5 trigonal bipyramid. The corner-sharing octahedral tilt angles are 62°. There are three inequivalent Mo sites. In the first Mo site, Mo(1) is bonded to one O(11), one O(3), one O(7), and one O(8) atom to form MoO4 tetrahedra that share  a cornercorner with one Na(2)O6 octahedra,  a cornercorner with one Mg(2)O6 octahedra, corners with two equivalent Mg(1)O6 octahedra, and corners with two equivalent Na(1)O5 trigonal bipyramids. The corner-sharing octahedral tilt angles range from 17-70°. In the second Mo site, Mo(2) is bonded to one O(1), one O(5), one O(6), and one O(9) atom to form MoO4 tetrahedra that share  a cornercorner with one Na(2)O6 octahedra, corners with two equivalent Mg(1)O6 octahedra, corners with three equivalent Mg(2)O6 octahedra, and  a cornercorner with one Na(1)O5 trigonal bipyramid. The corner-sharing octahedral tilt angles range from 38-58°. In the third Mo site, Mo(3) is bonded to one O(10), one O(12), one O(2), and one O(4) atom to form MoO4 tetrahedra that share  a cornercorner with one Na(2)O6 octahedra, corners with two equivalent Mg(1)O6 octahedra, corners with two equivalent Mg(2)O6 octahedra, and corners with two equivalent Na(1)O5 trigonal bipyramids. The corner-sharing octahedral tilt angles range from 17-59°. There are twelve inequivalent O sites. In the first O site, O(1) is bonded in a bent 150 degrees geometry to one Na(2) and one Mo(2) atom. In the second O site, O(2) is bonded in a linear geometry to one Mg(1) and one Mo(3) atom. In the third O site, O(3) is bonded in a linear geometry to one Mg(2) and one Mo(1) atom. In the fourth O site, O(4) is bonded in a distorted trigonal planar geometry to one Na(1), one Mg(2), and one Mo(3) atom. In the fifth O site, O(5) is bonded in a distorted trigonal planar geometry to two equivalent Mg(1) and one Mo(2) atom. In the sixth O site, O(6) is bonded in a distorted trigonal non-coplanar geometry to one Na(1), one Mg(2), and one Mo(2) atom. In the seventh O site, O(7) is bonded in a distorted trigonal planar geometry to one Na(1), one Na(2), and one Mo(1) atom. In the eighth O site, O(8) is bonded in a distorted trigonal planar geometry to one Na(1), one Mg(1), and one Mo(1) atom. In the ninth O site, O(9) is bonded in a distorted trigonal planar geometry to two equivalent Mg(2) and one Mo(2) atom. In the tenth O site, O(10) is bonded in a trigonal planar geometry to one Na(2), one Mg(2), and one Mo(3) atom. In the eleventh O site, O(11) is bonded in a bent 150 degrees geometry to one Mg(1) and one Mo(1) atom. In the twelfth O site, O(12) is bonded in a distorted trigonal planar geometry to one Na(1), one Mg(1), and one Mo(3) atom.
Na3Mg4(MoO4)6 crystallizes in the triclinic P-1 space group. There are two inequivalent Na sites. In the first Na site, Na(1) is bonded to one O(12), one O(4), one O(6), one O(7), and one O(8) atom to form NaO5 trigonal bipyramids that share  a cornercorner with one Na(2)O6 octahedra,  a cornercorner with one Mo(2)O4 tetrahedra, corners with two equivalent Mo(1)O4 tetrahedra, corners with two equivalent Mo(3)O4 tetrahedra,  an edgeedge with one Mg(1)O6 octahedra, and  an edgeedge with one Mg(2)O6 octahedra. The corner-sharing octahedral tilt angles are 60°. The Na(1)-O(12) bond length is 2.31 Å. The Na(1)-O(4) bond length is 2.24 Å. The Na(1)-O(6) bond length is 2.36 Å. The Na(1)-O(7) bond length is 2.27 Å. The Na(1)-O(8) bond length is 2.33 Å. In the second Na site, Na(2) is bonded to two equivalent O(1), two equivalent O(10), and two equivalent O(7) atoms to form distorted NaO6 octahedra that share corners with two equivalent Mg(2)O6 octahedra, corners with two equivalent Mo(1)O4 tetrahedra, corners with two equivalent Mo(2)O4 tetrahedra, corners with two equivalent Mo(3)O4 tetrahedra, and corners with two equivalent Na(1)O5 trigonal bipyramids. The corner-sharing octahedral tilt angles are 62°. Both Na(2)-O(1) bond lengths are 2.40 Å. Both Na(2)-O(10) bond lengths are 2.44 Å. Both Na(2)-O(7) bond lengths are 2.78 Å. There are two inequivalent Mg sites. In the first Mg site, Mg(1) is bonded to one O(11), one O(12), one O(2), one O(8), and two equivalent O(5) atoms to form MgO6 octahedra that share corners with two equivalent Mo(1)O4 tetrahedra, corners with two equivalent Mo(2)O4 tetrahedra, corners with two equivalent Mo(3)O4 tetrahedra,  an edgeedge with one Mg(1)O6 octahedra, and  an edgeedge with one Na(1)O5 trigonal bipyramid. The Mg(1)-O(11) bond length is 2.09 Å. The Mg(1)-O(12) bond length is 2.09 Å. The Mg(1)-O(2) bond length is 2.09 Å. The Mg(1)-O(8) bond length is 2.13 Å. There is one shorter (2.10 Å) and one longer (2.20 Å) Mg(1)-O(5) bond length. In the second Mg site, Mg(2) is bonded to one O(10), one O(3), one O(4), one O(6), and two equivalent O(9) atoms to form MgO6 octahedra that share  a cornercorner with one Na(2)O6 octahedra,  a cornercorner with one Mo(1)O4 tetrahedra, corners with two equivalent Mo(3)O4 tetrahedra, corners with three equivalent Mo(2)O4 tetrahedra,  an edgeedge with one Mg(2)O6 octahedra, and  an edgeedge with one Na(1)O5 trigonal bipyramid. The corner-sharing octahedral tilt angles are 62°. The Mg(2)-O(10) bond length is 2.14 Å. The Mg(2)-O(3) bond length is 2.03 Å. The Mg(2)-O(4) bond length is 2.15 Å. The Mg(2)-O(6) bond length is 2.10 Å. Both Mg(2)-O(9) bond lengths are 2.15 Å. There are three inequivalent Mo sites. In the first Mo site, Mo(1) is bonded to one O(11), one O(3), one O(7), and one O(8) atom to form MoO4 tetrahedra that share  a cornercorner with one Na(2)O6 octahedra,  a cornercorner with one Mg(2)O6 octahedra, corners with two equivalent Mg(1)O6 octahedra, and corners with two equivalent Na(1)O5 trigonal bipyramids. The corner-sharing octahedral tilt angles range from 17-70°. The Mo(1)-O(11) bond length is 1.80 Å. The Mo(1)-O(3) bond length is 1.79 Å. The Mo(1)-O(7) bond length is 1.78 Å. The Mo(1)-O(8) bond length is 1.81 Å. In the second Mo site, Mo(2) is bonded to one O(1), one O(5), one O(6), and one O(9) atom to form MoO4 tetrahedra that share  a cornercorner with one Na(2)O6 octahedra, corners with two equivalent Mg(1)O6 octahedra, corners with three equivalent Mg(2)O6 octahedra, and  a cornercorner with one Na(1)O5 trigonal bipyramid. The corner-sharing octahedral tilt angles range from 38-58°. The Mo(2)-O(1) bond length is 1.74 Å. The Mo(2)-O(5) bond length is 1.83 Å. The Mo(2)-O(6) bond length is 1.80 Å. The Mo(2)-O(9) bond length is 1.85 Å. In the third Mo site, Mo(3) is bonded to one O(10), one O(12), one O(2), and one O(4) atom to form MoO4 tetrahedra that share  a cornercorner with one Na(2)O6 octahedra, corners with two equivalent Mg(1)O6 octahedra, corners with two equivalent Mg(2)O6 octahedra, and corners with two equivalent Na(1)O5 trigonal bipyramids. The corner-sharing octahedral tilt angles range from 17-59°. The Mo(3)-O(10) bond length is 1.80 Å. The Mo(3)-O(12) bond length is 1.82 Å. The Mo(3)-O(2) bond length is 1.78 Å. The Mo(3)-O(4) bond length is 1.80 Å. There are twelve inequivalent O sites. In the first O site, O(1) is bonded in a bent 150 degrees geometry to one Na(2) and one Mo(2) atom. In the second O site, O(2) is bonded in a linear geometry to one Mg(1) and one Mo(3) atom. In the third O site, O(3) is bonded in a linear geometry to one Mg(2) and one Mo(1) atom. In the fourth O site, O(4) is bonded in a distorted trigonal planar geometry to one Na(1), one Mg(2), and one Mo(3) atom. In the fifth O site, O(5) is bonded in a distorted trigonal planar geometry to two equivalent Mg(1) and one Mo(2) atom. In the sixth O site, O(6) is bonded in a distorted trigonal non-coplanar geometry to one Na(1), one Mg(2), and one Mo(2) atom. In the seventh O site, O(7) is bonded in a distorted trigonal planar geometry to one Na(1), one Na(2), and one Mo(1) atom. In the eighth O site, O(8) is bonded in a distorted trigonal planar geometry to one Na(1), one Mg(1), and one Mo(1) atom. In the ninth O site, O(9) is bonded in a distorted trigonal planar geometry to two equivalent Mg(2) and one Mo(2) atom. In the tenth O site, O(10) is bonded in a trigonal planar geometry to one Na(2), one Mg(2), and one Mo(3) atom. In the eleventh O site, O(11) is bonded in a bent 150 degrees geometry to one Mg(1) and one Mo(1) atom. In the twelfth O site, O(12) is bonded in a distorted trigonal planar geometry to one Na(1), one Mg(1), and one Mo(3) atom.