NaAsH4O5 crystallizes in the orthorhombic P2_12_12_1 space group. Na(1) is bonded to one O(1), one O(2), one O(3), one O(5), and two equivalent O(4) atoms to form distorted NaO6 octahedra that share corners with two equivalent Na(1)O6 octahedra and corners with four equivalent As(1)O4 tetrahedra. The corner-sharing octahedral tilt angles are 62°. As(1) is bonded to one O(1), one O(2), one O(3), and one O(5) atom to form AsO4 tetrahedra that share corners with four equivalent Na(1)O6 octahedra. The corner-sharing octahedral tilt angles range from 38-66°. There are four inequivalent H sites. In the first H site, H(1) is bonded in a linear geometry to one O(1) and one O(5) atom. In the second H site, H(2) is bonded in a single-bond geometry to one O(4) atom. In the third H site, H(3) is bonded in a distorted single-bond geometry to one O(2) and one O(3) atom. In the fourth H site, H(4) is bonded in a single-bond geometry to one O(4) atom. There are five inequivalent O sites. In the first O site, O(1) is bonded in a 3-coordinate geometry to one Na(1), one As(1), and one H(1) atom. In the second O site, O(2) is bonded in a distorted trigonal non-coplanar geometry to one Na(1), one As(1), and one H(3) atom. In the third O site, O(3) is bonded in a 1-coordinate geometry to one Na(1), one As(1), and one H(3) atom. In the fourth O site, O(4) is bonded in a distorted water-like geometry to two equivalent Na(1), one H(2), and one H(4) atom. In the fifth O site, O(5) is bonded in a 3-coordinate geometry to one Na(1), one As(1), and one H(1) atom.
NaAsH4O5 crystallizes in the orthorhombic P2_12_12_1 space group. Na(1) is bonded to one O(1), one O(2), one O(3), one O(5), and two equivalent O(4) atoms to form distorted NaO6 octahedra that share corners with two equivalent Na(1)O6 octahedra and corners with four equivalent As(1)O4 tetrahedra. The corner-sharing octahedral tilt angles are 62°. The Na(1)-O(1) bond length is 2.50 Å. The Na(1)-O(2) bond length is 2.49 Å. The Na(1)-O(3) bond length is 2.77 Å. The Na(1)-O(5) bond length is 2.45 Å. There is one shorter (2.48 Å) and one longer (2.51 Å) Na(1)-O(4) bond length. As(1) is bonded to one O(1), one O(2), one O(3), and one O(5) atom to form AsO4 tetrahedra that share corners with four equivalent Na(1)O6 octahedra. The corner-sharing octahedral tilt angles range from 38-66°. The As(1)-O(1) bond length is 1.76 Å. The As(1)-O(2) bond length is 1.69 Å. The As(1)-O(3) bond length is 1.77 Å. The As(1)-O(5) bond length is 1.70 Å. There are four inequivalent H sites. In the first H site, H(1) is bonded in a linear geometry to one O(1) and one O(5) atom. The H(1)-O(1) bond length is 1.03 Å. The H(1)-O(5) bond length is 1.57 Å. In the second H site, H(2) is bonded in a single-bond geometry to one O(4) atom. The H(2)-O(4) bond length is 0.98 Å. In the third H site, H(3) is bonded in a distorted single-bond geometry to one O(2) and one O(3) atom. The H(3)-O(2) bond length is 1.69 Å. The H(3)-O(3) bond length is 1.00 Å. In the fourth H site, H(4) is bonded in a single-bond geometry to one O(4) atom. The H(4)-O(4) bond length is 0.99 Å. There are five inequivalent O sites. In the first O site, O(1) is bonded in a 3-coordinate geometry to one Na(1), one As(1), and one H(1) atom. In the second O site, O(2) is bonded in a distorted trigonal non-coplanar geometry to one Na(1), one As(1), and one H(3) atom. In the third O site, O(3) is bonded in a 1-coordinate geometry to one Na(1), one As(1), and one H(3) atom. In the fourth O site, O(4) is bonded in a distorted water-like geometry to two equivalent Na(1), one H(2), and one H(4) atom. In the fifth O site, O(5) is bonded in a 3-coordinate geometry to one Na(1), one As(1), and one H(1) atom.