Na2H12O7SO4 crystallizes in the orthorhombic Fdd2 space group. The structure consists of eight sulfuric acid molecules inside a Na2H12O7 framework. In the Na2H12O7 framework, Na(1) is bonded to one O(3), one O(6), two equivalent O(1), and two equivalent O(2) atoms to form a mixture of corner and edge-sharing NaO6 octahedra. The corner-sharing octahedral tilt angles are 2°. There are six inequivalent H sites. In the first H site, H(5) is bonded in a single-bond geometry to one O(6) atom. In the second H site, H(6) is bonded in a single-bond geometry to one O(6) atom. In the third H site, H(1) is bonded in a single-bond geometry to one O(1) atom. In the fourth H site, H(2) is bonded in a single-bond geometry to one O(2) atom. In the fifth H site, H(3) is bonded in a single-bond geometry to one O(1) atom. In the sixth H site, H(4) is bonded in a single-bond geometry to one O(2) atom. There are four inequivalent O sites. In the first O site, O(3) is bonded in a linear geometry to two equivalent Na(1) atoms. In the second O site, O(6) is bonded in a distorted water-like geometry to one Na(1), one H(5), and one H(6) atom. In the third O site, O(1) is bonded in a distorted water-like geometry to two equivalent Na(1), one H(1), and one H(3) atom. In the fourth O site, O(2) is bonded in a distorted water-like geometry to two equivalent Na(1), one H(2), and one H(4) atom.
Na2H12O7SO4 crystallizes in the orthorhombic Fdd2 space group. The structure consists of eight sulfuric acid molecules inside a Na2H12O7 framework. In the Na2H12O7 framework, Na(1) is bonded to one O(3), one O(6), two equivalent O(1), and two equivalent O(2) atoms to form a mixture of corner and edge-sharing NaO6 octahedra. The corner-sharing octahedral tilt angles are 2°. The Na(1)-O(3) bond length is 2.61 Å. The Na(1)-O(6) bond length is 2.42 Å. There is one shorter (2.40 Å) and one longer (2.42 Å) Na(1)-O(1) bond length. There is one shorter (2.41 Å) and one longer (2.42 Å) Na(1)-O(2) bond length. There are six inequivalent H sites. In the first H site, H(5) is bonded in a single-bond geometry to one O(6) atom. The H(5)-O(6) bond length is 0.99 Å. In the second H site, H(6) is bonded in a single-bond geometry to one O(6) atom. The H(6)-O(6) bond length is 0.99 Å. In the third H site, H(1) is bonded in a single-bond geometry to one O(1) atom. The H(1)-O(1) bond length is 0.99 Å. In the fourth 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. In the fifth H site, H(3) is bonded in a single-bond geometry to one O(1) atom. The H(3)-O(1) bond length is 0.98 Å. In the sixth H site, H(4) is bonded in a single-bond geometry to one O(2) atom. The H(4)-O(2) bond length is 0.98 Å. There are four inequivalent O sites. In the first O site, O(3) is bonded in a linear geometry to two equivalent Na(1) atoms. In the second O site, O(6) is bonded in a distorted water-like geometry to one Na(1), one H(5), and one H(6) atom. In the third O site, O(1) is bonded in a distorted water-like geometry to two equivalent Na(1), one H(1), and one H(3) atom. In the fourth O site, O(2) is bonded in a distorted water-like geometry to two equivalent Na(1), one H(2), and one H(4) atom.