NaMgH4SO6F crystallizes in the monoclinic P2_1/m space group. Na(1) is bonded to one O(4), two equivalent O(1), two equivalent O(2), and one F(1) atom to form distorted NaO5F pentagonal pyramids that share corners with two equivalent Mg(1)O4F2 octahedra, corners with three equivalent S(1)O4 tetrahedra, and edges with two equivalent Mg(1)O4F2 octahedra. The corner-sharing octahedral tilt angles are 65°. Mg(1) is bonded to two equivalent O(1), two equivalent O(2), and two equivalent F(1) atoms to form MgO4F2 octahedra that share corners with two equivalent Mg(1)O4F2 octahedra, corners with two equivalent Na(1)O5F pentagonal pyramids, corners with two equivalent S(1)O4 tetrahedra, and edges with two equivalent Na(1)O5F pentagonal pyramids. The corner-sharing octahedral tilt angles are 45°. There are two inequivalent H sites. In the first H site, H(1) is bonded in a single-bond geometry to one O(2) atom. In the second H site, H(2) is bonded in a single-bond geometry to one O(2) atom. S(1) is bonded to one O(3), one O(4), and two equivalent O(1) atoms to form SO4 tetrahedra that share corners with two equivalent Mg(1)O4F2 octahedra and corners with three equivalent Na(1)O5F pentagonal pyramids. The corner-sharing octahedral tilt angles are 53°. There are four inequivalent O sites. In the first O site, O(1) is bonded in a 3-coordinate geometry to one Na(1), one Mg(1), and one S(1) atom. In the second O site, O(2) is bonded in a distorted water-like geometry to one Na(1), one Mg(1), one H(1), and one H(2) atom. In the third O site, O(3) is bonded in a single-bond geometry to one S(1) atom. In the fourth O site, O(4) is bonded in a bent 150 degrees geometry to one Na(1) and one S(1) atom. F(1) is bonded in a distorted trigonal planar geometry to one Na(1) and two equivalent Mg(1) atoms.
NaMgH4SO6F crystallizes in the monoclinic P2_1/m space group. Na(1) is bonded to one O(4), two equivalent O(1), two equivalent O(2), and one F(1) atom to form distorted NaO5F pentagonal pyramids that share corners with two equivalent Mg(1)O4F2 octahedra, corners with three equivalent S(1)O4 tetrahedra, and edges with two equivalent Mg(1)O4F2 octahedra. The corner-sharing octahedral tilt angles are 65°. The Na(1)-O(4) bond length is 2.35 Å. Both Na(1)-O(1) bond lengths are 2.63 Å. Both Na(1)-O(2) bond lengths are 2.45 Å. The Na(1)-F(1) bond length is 2.26 Å. Mg(1) is bonded to two equivalent O(1), two equivalent O(2), and two equivalent F(1) atoms to form MgO4F2 octahedra that share corners with two equivalent Mg(1)O4F2 octahedra, corners with two equivalent Na(1)O5F pentagonal pyramids, corners with two equivalent S(1)O4 tetrahedra, and edges with two equivalent Na(1)O5F pentagonal pyramids. The corner-sharing octahedral tilt angles are 45°. Both Mg(1)-O(1) bond lengths are 2.11 Å. Both Mg(1)-O(2) bond lengths are 2.10 Å. Both Mg(1)-F(1) bond lengths are 1.96 Å. There are two inequivalent H sites. In the first H site, H(1) is bonded in a single-bond geometry to one O(2) atom. The H(1)-O(2) bond length is 0.99 Å. In the second H site, H(2) is bonded in a single-bond geometry to one O(2) atom. The H(2)-O(2) bond length is 0.99 Å. S(1) is bonded to one O(3), one O(4), and two equivalent O(1) atoms to form SO4 tetrahedra that share corners with two equivalent Mg(1)O4F2 octahedra and corners with three equivalent Na(1)O5F pentagonal pyramids. The corner-sharing octahedral tilt angles are 53°. The S(1)-O(3) bond length is 1.53 Å. The S(1)-O(4) bond length is 1.46 Å. Both S(1)-O(1) bond lengths are 1.50 Å. There are four inequivalent O sites. In the first O site, O(1) is bonded in a 3-coordinate geometry to one Na(1), one Mg(1), and one S(1) atom. In the second O site, O(2) is bonded in a distorted water-like geometry to one Na(1), one Mg(1), one H(1), and one H(2) atom. In the third O site, O(3) is bonded in a single-bond geometry to one S(1) atom. In the fourth O site, O(4) is bonded in a bent 150 degrees geometry to one Na(1) and one S(1) atom. F(1) is bonded in a distorted trigonal planar geometry to one Na(1) and two equivalent Mg(1) atoms.