YNiSO7 crystallizes in the orthorhombic P2_12_12_1 space group. Y(1) is bonded in a 8-coordinate geometry to one O(1), one O(2), one O(4), one O(5), two equivalent O(6), and two equivalent O(7) atoms. Ni(1) is bonded to one O(6), one O(7), two equivalent O(3), and two equivalent O(5) atoms to form NiO6 octahedra that share corners with two equivalent S(1)O4 tetrahedra and edges with two equivalent Ni(1)O6 octahedra. 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 Ni(1)O6 octahedra. The corner-sharing octahedral tilt angles range from 56-57°. There are seven inequivalent O sites. In the first O site, O(6) is bonded in a distorted trigonal planar geometry to two equivalent Y(1) and one Ni(1) atom. In the second O site, O(7) is bonded in a 3-coordinate geometry to two equivalent Y(1) and one Ni(1) atom. In the third O site, O(1) is bonded in a bent 150 degrees geometry to one Y(1) and one S(1) atom. In the fourth O site, O(2) is bonded in a bent 150 degrees geometry to one Y(1) and one S(1) atom. In the fifth O site, O(3) is bonded in a 3-coordinate geometry to two equivalent Ni(1) and one S(1) atom. In the sixth O site, O(4) is bonded in a distorted bent 150 degrees geometry to one Y(1) and one S(1) atom. In the seventh O site, O(5) is bonded in a distorted trigonal non-coplanar geometry to one Y(1) and two equivalent Ni(1) atoms.
YNiSO7 crystallizes in the orthorhombic P2_12_12_1 space group. Y(1) is bonded in a 8-coordinate geometry to one O(1), one O(2), one O(4), one O(5), two equivalent O(6), and two equivalent O(7) atoms. The Y(1)-O(1) bond length is 2.32 Å. The Y(1)-O(2) bond length is 2.31 Å. The Y(1)-O(4) bond length is 2.34 Å. The Y(1)-O(5) bond length is 2.47 Å. There is one shorter (2.37 Å) and one longer (2.39 Å) Y(1)-O(6) bond length. There is one shorter (2.33 Å) and one longer (2.43 Å) Y(1)-O(7) bond length. Ni(1) is bonded to one O(6), one O(7), two equivalent O(3), and two equivalent O(5) atoms to form NiO6 octahedra that share corners with two equivalent S(1)O4 tetrahedra and edges with two equivalent Ni(1)O6 octahedra. The Ni(1)-O(6) bond length is 1.83 Å. The Ni(1)-O(7) bond length is 1.84 Å. There is one shorter (2.22 Å) and one longer (2.24 Å) Ni(1)-O(3) bond length. There is one shorter (1.84 Å) and one longer (1.86 Å) Ni(1)-O(5) bond length. 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 Ni(1)O6 octahedra. The corner-sharing octahedral tilt angles range from 56-57°. The S(1)-O(1) bond length is 1.47 Å. The S(1)-O(2) bond length is 1.49 Å. The S(1)-O(3) bond length is 1.51 Å. The S(1)-O(4) bond length is 1.47 Å. There are seven inequivalent O sites. In the first O site, O(6) is bonded in a distorted trigonal planar geometry to two equivalent Y(1) and one Ni(1) atom. In the second O site, O(7) is bonded in a 3-coordinate geometry to two equivalent Y(1) and one Ni(1) atom. In the third O site, O(1) is bonded in a bent 150 degrees geometry to one Y(1) and one S(1) atom. In the fourth O site, O(2) is bonded in a bent 150 degrees geometry to one Y(1) and one S(1) atom. In the fifth O site, O(3) is bonded in a 3-coordinate geometry to two equivalent Ni(1) and one S(1) atom. In the sixth O site, O(4) is bonded in a distorted bent 150 degrees geometry to one Y(1) and one S(1) atom. In the seventh O site, O(5) is bonded in a distorted trigonal non-coplanar geometry to one Y(1) and two equivalent Ni(1) atoms.