Na2FeH4(SO5)2 crystallizes in the monoclinic P2_1/c space group. Na(1) is bonded in a 7-coordinate geometry to one O(1), one O(3), one O(5), two equivalent O(2), and two equivalent O(4) atoms. Fe(1) is bonded to two equivalent O(2), two equivalent O(3), and two equivalent O(5) atoms to form FeO6 octahedra that share corners with four equivalent S(1)O4 tetrahedra. There are two inequivalent H sites. In the first H site, H(1) is bonded in a single-bond geometry to one O(1) and one O(5) atom. In the second H site, H(2) is bonded in a distorted single-bond geometry to one O(4) and one O(5) atom. S(1) is bonded to one O(1), one O(2), one O(3), and one O(4) atom to form SO4 tetrahedra that share corners with two equivalent Fe(1)O6 octahedra. The corner-sharing octahedral tilt angles range from 42-50°. There are five inequivalent O sites. In the first O site, O(5) is bonded in a distorted water-like geometry to one Na(1), one Fe(1), one H(1), and one H(2) atom. In the second O site, O(1) is bonded in a distorted single-bond geometry to one Na(1), one H(1), and one S(1) atom. In the third O site, O(2) is bonded in a 4-coordinate geometry to two equivalent Na(1), one Fe(1), and one S(1) atom. In the fourth O site, O(3) is bonded in a 3-coordinate geometry to one Na(1), one Fe(1), and one S(1) atom. In the fifth O site, O(4) is bonded in a 4-coordinate geometry to two equivalent Na(1), one H(2), and one S(1) atom.
Na2FeH4(SO5)2 crystallizes in the monoclinic P2_1/c space group. Na(1) is bonded in a 7-coordinate geometry to one O(1), one O(3), one O(5), two equivalent O(2), and two equivalent O(4) atoms. The Na(1)-O(1) bond length is 2.54 Å. The Na(1)-O(3) bond length is 2.49 Å. The Na(1)-O(5) bond length is 2.39 Å. There is one shorter (2.60 Å) and one longer (2.73 Å) Na(1)-O(2) bond length. There is one shorter (2.48 Å) and one longer (2.78 Å) Na(1)-O(4) bond length. Fe(1) is bonded to two equivalent O(2), two equivalent O(3), and two equivalent O(5) atoms to form FeO6 octahedra that share corners with four equivalent S(1)O4 tetrahedra. Both Fe(1)-O(2) bond lengths are 2.19 Å. Both Fe(1)-O(3) bond lengths are 2.18 Å. Both Fe(1)-O(5) bond lengths are 2.12 Å. There are two inequivalent H sites. In the first H site, H(1) is bonded in a single-bond geometry to one O(1) and one O(5) atom. The H(1)-O(1) bond length is 1.74 Å. The H(1)-O(5) bond length is 1.00 Å. In the second H site, H(2) is bonded in a distorted single-bond geometry to one O(4) and one O(5) atom. The H(2)-O(4) bond length is 1.65 Å. The H(2)-O(5) bond length is 1.00 Å. S(1) is bonded to one O(1), one O(2), one O(3), and one O(4) atom to form SO4 tetrahedra that share corners with two equivalent Fe(1)O6 octahedra. The corner-sharing octahedral tilt angles range from 42-50°. The S(1)-O(1) bond length is 1.47 Å. The S(1)-O(2) bond length is 1.51 Å. The S(1)-O(3) bond length is 1.51 Å. The S(1)-O(4) bond length is 1.49 Å. There are five inequivalent O sites. In the first O site, O(5) is bonded in a distorted water-like geometry to one Na(1), one Fe(1), one H(1), and one H(2) atom. In the second O site, O(1) is bonded in a distorted single-bond geometry to one Na(1), one H(1), and one S(1) atom. In the third O site, O(2) is bonded in a 4-coordinate geometry to two equivalent Na(1), one Fe(1), and one S(1) atom. In the fourth O site, O(3) is bonded in a 3-coordinate geometry to one Na(1), one Fe(1), and one S(1) atom. In the fifth O site, O(4) is bonded in a 4-coordinate geometry to two equivalent Na(1), one H(2), and one S(1) atom.