YNiH3SO7 crystallizes in the orthorhombic Pnma space group. Y(1) is bonded in a 9-coordinate geometry to one O(4), two equivalent O(1), two equivalent O(3), and four equivalent O(5) atoms. Ni(1) is bonded to two equivalent O(3), two equivalent O(4), and two equivalent O(5) atoms to form NiO6 octahedra that share corners with two equivalent Ni(1)O6 octahedra and corners with two equivalent S(1)O4 tetrahedra. The corner-sharing octahedral tilt angles are 51°. There are two inequivalent H sites. In the first H site, H(1) is bonded in a single-bond geometry to one O(4) atom. In the second H site, H(2) is bonded in a single-bond geometry to one O(5) atom. S(1) is bonded to one O(1), one O(2), and two equivalent O(3) atoms to form SO4 tetrahedra that share corners with two equivalent Ni(1)O6 octahedra. The corner-sharing octahedral tilt angles are 48°. There are five inequivalent O sites. In the first O site, O(3) is bonded in a 2-coordinate geometry to one Y(1), one Ni(1), and one S(1) atom. In the second O site, O(4) is bonded in a distorted single-bond geometry to one Y(1), two equivalent Ni(1), and one H(1) atom. In the third O site, O(5) is bonded in a distorted single-bond geometry to two equivalent Y(1), one Ni(1), and one H(2) atom. In the fourth O site, O(1) is bonded in a distorted single-bond geometry to two equivalent Y(1) and one S(1) atom. In the fifth O site, O(2) is bonded in a single-bond geometry to one S(1) atom.
YNiH3SO7 crystallizes in the orthorhombic Pnma space group. Y(1) is bonded in a 9-coordinate geometry to one O(4), two equivalent O(1), two equivalent O(3), and four equivalent O(5) atoms. The Y(1)-O(4) bond length is 2.29 Å. There is one shorter (2.51 Å) and one longer (2.58 Å) Y(1)-O(1) bond length. Both Y(1)-O(3) bond lengths are 2.78 Å. There are two shorter (2.32 Å) and two longer (2.40 Å) Y(1)-O(5) bond lengths. Ni(1) is bonded to two equivalent O(3), two equivalent O(4), and two equivalent O(5) atoms to form NiO6 octahedra that share corners with two equivalent Ni(1)O6 octahedra and corners with two equivalent S(1)O4 tetrahedra. The corner-sharing octahedral tilt angles are 51°. Both Ni(1)-O(3) bond lengths are 2.08 Å. Both Ni(1)-O(4) bond lengths are 2.04 Å. Both Ni(1)-O(5) bond lengths are 2.08 Å. There are two inequivalent H sites. In the first H site, H(1) is bonded in a single-bond geometry to one O(4) atom. The H(1)-O(4) bond length is 0.98 Å. In the second H site, H(2) is bonded in a single-bond geometry to one O(5) atom. The H(2)-O(5) bond length is 0.98 Å. S(1) is bonded to one O(1), one O(2), and two equivalent O(3) atoms to form SO4 tetrahedra that share corners with two equivalent Ni(1)O6 octahedra. The corner-sharing octahedral tilt angles are 48°. The S(1)-O(1) bond length is 1.50 Å. The S(1)-O(2) bond length is 1.48 Å. Both S(1)-O(3) bond lengths are 1.49 Å. There are five inequivalent O sites. In the first O site, O(3) is bonded in a 2-coordinate geometry to one Y(1), one Ni(1), and one S(1) atom. In the second O site, O(4) is bonded in a distorted single-bond geometry to one Y(1), two equivalent Ni(1), and one H(1) atom. In the third O site, O(5) is bonded in a distorted single-bond geometry to two equivalent Y(1), one Ni(1), and one H(2) atom. In the fourth O site, O(1) is bonded in a distorted single-bond geometry to two equivalent Y(1) and one S(1) atom. In the fifth O site, O(2) is bonded in a single-bond geometry to one S(1) atom.