NaNi2H3(SO5)2 crystallizes in the monoclinic Cm space group. Na(1) is bonded in a distorted body-centered cubic geometry to one O(5), one O(6), one O(7), one O(8), two equivalent O(3), and two equivalent O(4) atoms. Ni(1) is bonded to one O(1), one O(2), one O(3), one O(4), one O(7), and one O(8) atom to form NiO6 octahedra that share corners with two equivalent S(1)O4 tetrahedra, corners with two equivalent S(2)O4 tetrahedra, and edges with two equivalent Ni(1)O6 octahedra. There are three inequivalent H sites. In the first H site, H(1) is bonded in a single-bond geometry to one O(1) atom. In the second H site, H(2) is bonded in a single-bond geometry to one O(2) atom. In the third H site, H(3) is bonded in a linear geometry to one O(1) and one O(2) atom. There are two inequivalent S sites. In the first S site, S(1) is bonded to one O(5), one O(7), and two equivalent O(3) atoms to form SO4 tetrahedra that share corners with four equivalent Ni(1)O6 octahedra. The corner-sharing octahedral tilt angles range from 47-53°. In the second S site, S(2) is bonded to one O(6), one O(8), and two equivalent O(4) atoms to form SO4 tetrahedra that share corners with four equivalent Ni(1)O6 octahedra. The corner-sharing octahedral tilt angles range from 48-53°. There are eight inequivalent O sites. In the first O site, O(1) is bonded to two equivalent Ni(1), one H(1), and one H(3) atom to form distorted corner-sharing ONi2H2 tetrahedra. In the second O site, O(2) is bonded to two equivalent Ni(1), one H(2), and one H(3) atom to form distorted corner-sharing ONi2H2 tetrahedra. In the third O site, O(3) is bonded in a distorted trigonal planar geometry to one Na(1), one Ni(1), and one S(1) atom. In the fourth O site, O(4) is bonded in a distorted trigonal planar geometry to one Na(1), one Ni(1), and one S(2) atom. In the fifth O site, O(5) is bonded in a distorted water-like geometry to one Na(1) and one S(1) atom. In the sixth O site, O(6) is bonded in a 1-coordinate geometry to one Na(1) and one S(2) atom. In the seventh O site, O(7) is bonded in a 4-coordinate geometry to one Na(1), two equivalent Ni(1), and one S(1) atom. In the eighth O site, O(8) is bonded in a 4-coordinate geometry to one Na(1), two equivalent Ni(1), and one S(2) atom.
NaNi2H3(SO5)2 crystallizes in the monoclinic Cm space group. Na(1) is bonded in a distorted body-centered cubic geometry to one O(5), one O(6), one O(7), one O(8), two equivalent O(3), and two equivalent O(4) atoms. The Na(1)-O(5) bond length is 2.42 Å. The Na(1)-O(6) bond length is 2.42 Å. The Na(1)-O(7) bond length is 2.80 Å. The Na(1)-O(8) bond length is 2.79 Å. Both Na(1)-O(3) bond lengths are 2.63 Å. Both Na(1)-O(4) bond lengths are 2.63 Å. Ni(1) is bonded to one O(1), one O(2), one O(3), one O(4), one O(7), and one O(8) atom to form NiO6 octahedra that share corners with two equivalent S(1)O4 tetrahedra, corners with two equivalent S(2)O4 tetrahedra, and edges with two equivalent Ni(1)O6 octahedra. The Ni(1)-O(1) bond length is 2.01 Å. The Ni(1)-O(2) bond length is 2.00 Å. The Ni(1)-O(3) bond length is 2.11 Å. The Ni(1)-O(4) bond length is 2.11 Å. The Ni(1)-O(7) bond length is 2.17 Å. The Ni(1)-O(8) bond length is 2.16 Å. There are three inequivalent H sites. In the first 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 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. In the third H site, H(3) is bonded in a linear geometry to one O(1) and one O(2) atom. The H(3)-O(1) bond length is 1.17 Å. The H(3)-O(2) bond length is 1.24 Å. There are two inequivalent S sites. In the first S site, S(1) is bonded to one O(5), one O(7), and two equivalent O(3) atoms to form SO4 tetrahedra that share corners with four equivalent Ni(1)O6 octahedra. The corner-sharing octahedral tilt angles range from 47-53°. The S(1)-O(5) bond length is 1.46 Å. The S(1)-O(7) bond length is 1.54 Å. Both S(1)-O(3) bond lengths are 1.49 Å. In the second S site, S(2) is bonded to one O(6), one O(8), and two equivalent O(4) atoms to form SO4 tetrahedra that share corners with four equivalent Ni(1)O6 octahedra. The corner-sharing octahedral tilt angles range from 48-53°. The S(2)-O(6) bond length is 1.46 Å. The S(2)-O(8) bond length is 1.54 Å. Both S(2)-O(4) bond lengths are 1.49 Å. There are eight inequivalent O sites. In the first O site, O(1) is bonded to two equivalent Ni(1), one H(1), and one H(3) atom to form distorted corner-sharing ONi2H2 tetrahedra. In the second O site, O(2) is bonded to two equivalent Ni(1), one H(2), and one H(3) atom to form distorted corner-sharing ONi2H2 tetrahedra. In the third O site, O(3) is bonded in a distorted trigonal planar geometry to one Na(1), one Ni(1), and one S(1) atom. In the fourth O site, O(4) is bonded in a distorted trigonal planar geometry to one Na(1), one Ni(1), and one S(2) atom. In the fifth O site, O(5) is bonded in a distorted water-like geometry to one Na(1) and one S(1) atom. In the sixth O site, O(6) is bonded in a 1-coordinate geometry to one Na(1) and one S(2) atom. In the seventh O site, O(7) is bonded in a 4-coordinate geometry to one Na(1), two equivalent Ni(1), and one S(1) atom. In the eighth O site, O(8) is bonded in a 4-coordinate geometry to one Na(1), two equivalent Ni(1), and one S(2) atom.