Y(NiO2)3 is beta indium sulfide-derived structured and crystallizes in the monoclinic C2/m space group. There are two inequivalent Y sites. In the first Y site, Y(1) is bonded to one O(1), one O(7), and two equivalent O(4) atoms to form YO4 tetrahedra that share corners with three equivalent Ni(3)O6 octahedra, corners with three equivalent Ni(5)O6 octahedra, and corners with six equivalent Ni(1)O6 octahedra. The corner-sharing octahedral tilt angles range from 56-63°. In the second Y site, Y(2) is bonded to one O(2), one O(9), and two equivalent O(6) atoms to form YO4 tetrahedra that share  a cornercorner with one Ni(3)O6 octahedra, corners with two equivalent Ni(1)O6 octahedra, corners with two equivalent Ni(4)O6 octahedra, corners with three equivalent Ni(6)O6 octahedra, and corners with four equivalent Ni(2)O6 octahedra. The corner-sharing octahedral tilt angles range from 59-62°. There are six inequivalent Ni sites. In the first Ni site, Ni(1) is bonded to one O(1), one O(2), one O(4), one O(5), one O(7), and one O(8) atom to form NiO6 octahedra that share  a cornercorner with one Y(2)O4 tetrahedra, corners with three equivalent Y(1)O4 tetrahedra,  an edgeedge with one Ni(5)O6 octahedra,  an edgeedge with one Ni(6)O6 octahedra, edges with two equivalent Ni(1)O6 octahedra, and edges with two equivalent Ni(3)O6 octahedra. In the second Ni site, Ni(2) is bonded to two equivalent O(3), two equivalent O(6), and two equivalent O(9) atoms to form NiO6 octahedra that share corners with four equivalent Y(2)O4 tetrahedra, edges with two equivalent Ni(2)O6 octahedra, edges with two equivalent Ni(4)O6 octahedra, and edges with two equivalent Ni(6)O6 octahedra. In the third Ni site, Ni(3) is bonded to one O(1), one O(2), two equivalent O(4), and two equivalent O(5) atoms to form NiO6 octahedra that share  a cornercorner with one Y(2)O4 tetrahedra, corners with three equivalent Y(1)O4 tetrahedra,  an edgeedge with one Ni(5)O6 octahedra,  an edgeedge with one Ni(6)O6 octahedra, and edges with four equivalent Ni(1)O6 octahedra. In the fourth Ni site, Ni(4) is bonded to two equivalent O(3) and four equivalent O(6) atoms to form distorted NiO6 octahedra that share corners with four equivalent Y(2)O4 tetrahedra, edges with two equivalent Ni(6)O6 octahedra, and edges with four equivalent Ni(2)O6 octahedra. In the fifth Ni site, Ni(5) is bonded to two equivalent O(7) and four equivalent O(4) atoms to form NiO6 octahedra that share corners with six equivalent Y(1)O4 tetrahedra, edges with two equivalent Ni(3)O6 octahedra, and edges with four equivalent Ni(1)O6 octahedra. In the sixth Ni site, Ni(6) is bonded to one O(8), one O(9), two equivalent O(5), and two equivalent O(6) atoms to form NiO6 octahedra that share corners with three equivalent Y(2)O4 tetrahedra,  an edgeedge with one Ni(3)O6 octahedra,  an edgeedge with one Ni(4)O6 octahedra, edges with two equivalent Ni(1)O6 octahedra, and edges with two equivalent Ni(2)O6 octahedra. There are nine inequivalent O sites. In the first O site, O(1) is bonded in a rectangular see-saw-like geometry to one Y(1), one Ni(3), and two equivalent Ni(1) atoms. In the second O site, O(2) is bonded to one Y(2), one Ni(3), and two equivalent Ni(1) atoms to form a mixture of distorted corner and edge-sharing OYNi3 tetrahedra. In the third O site, O(3) is bonded in a trigonal non-coplanar geometry to one Ni(4) and two equivalent Ni(2) atoms. In the fourth O site, O(4) is bonded to one Y(1), one Ni(1), one Ni(3), and one Ni(5) atom to form a mixture of corner and edge-sharing OYNi3 tetrahedra. In the fifth O site, O(5) is bonded in a distorted trigonal non-coplanar geometry to one Ni(1), one Ni(3), and one Ni(6) atom. In the sixth O site, O(6) is bonded to one Y(2), one Ni(2), one Ni(4), and one Ni(6) atom to form a mixture of distorted corner and edge-sharing OYNi3 tetrahedra. In the seventh O site, O(7) is bonded to one Y(1), one Ni(5), and two equivalent Ni(1) atoms to form a mixture of corner and edge-sharing OYNi3 tetrahedra. In the eighth O site, O(8) is bonded in a distorted trigonal non-coplanar geometry to one Ni(6) and two equivalent Ni(1) atoms. In the ninth O site, O(9) is bonded to one Y(2), one Ni(6), and two equivalent Ni(2) atoms to form a mixture of distorted corner and edge-sharing OYNi3 tetrahedra.
Y(NiO2)3 is beta indium sulfide-derived structured and crystallizes in the monoclinic C2/m space group. There are two inequivalent Y sites. In the first Y site, Y(1) is bonded to one O(1), one O(7), and two equivalent O(4) atoms to form YO4 tetrahedra that share corners with three equivalent Ni(3)O6 octahedra, corners with three equivalent Ni(5)O6 octahedra, and corners with six equivalent Ni(1)O6 octahedra. The corner-sharing octahedral tilt angles range from 56-63°. The Y(1)-O(1) bond length is 2.15 Å. The Y(1)-O(7) bond length is 2.12 Å. Both Y(1)-O(4) bond lengths are 2.11 Å. In the second Y site, Y(2) is bonded to one O(2), one O(9), and two equivalent O(6) atoms to form YO4 tetrahedra that share  a cornercorner with one Ni(3)O6 octahedra, corners with two equivalent Ni(1)O6 octahedra, corners with two equivalent Ni(4)O6 octahedra, corners with three equivalent Ni(6)O6 octahedra, and corners with four equivalent Ni(2)O6 octahedra. The corner-sharing octahedral tilt angles range from 59-62°. The Y(2)-O(2) bond length is 2.04 Å. The Y(2)-O(9) bond length is 2.16 Å. Both Y(2)-O(6) bond lengths are 2.16 Å. There are six inequivalent Ni sites. In the first Ni site, Ni(1) is bonded to one O(1), one O(2), one O(4), one O(5), one O(7), and one O(8) atom to form NiO6 octahedra that share  a cornercorner with one Y(2)O4 tetrahedra, corners with three equivalent Y(1)O4 tetrahedra,  an edgeedge with one Ni(5)O6 octahedra,  an edgeedge with one Ni(6)O6 octahedra, edges with two equivalent Ni(1)O6 octahedra, and edges with two equivalent Ni(3)O6 octahedra. The Ni(1)-O(1) bond length is 2.09 Å. The Ni(1)-O(2) bond length is 2.03 Å. The Ni(1)-O(4) bond length is 2.02 Å. The Ni(1)-O(5) bond length is 2.01 Å. The Ni(1)-O(7) bond length is 2.00 Å. The Ni(1)-O(8) bond length is 2.00 Å. In the second Ni site, Ni(2) is bonded to two equivalent O(3), two equivalent O(6), and two equivalent O(9) atoms to form NiO6 octahedra that share corners with four equivalent Y(2)O4 tetrahedra, edges with two equivalent Ni(2)O6 octahedra, edges with two equivalent Ni(4)O6 octahedra, and edges with two equivalent Ni(6)O6 octahedra. Both Ni(2)-O(3) bond lengths are 1.94 Å. Both Ni(2)-O(6) bond lengths are 2.04 Å. Both Ni(2)-O(9) bond lengths are 2.07 Å. In the third Ni site, Ni(3) is bonded to one O(1), one O(2), two equivalent O(4), and two equivalent O(5) atoms to form NiO6 octahedra that share  a cornercorner with one Y(2)O4 tetrahedra, corners with three equivalent Y(1)O4 tetrahedra,  an edgeedge with one Ni(5)O6 octahedra,  an edgeedge with one Ni(6)O6 octahedra, and edges with four equivalent Ni(1)O6 octahedra. The Ni(3)-O(1) bond length is 2.12 Å. The Ni(3)-O(2) bond length is 2.05 Å. Both Ni(3)-O(4) bond lengths are 1.98 Å. Both Ni(3)-O(5) bond lengths are 1.96 Å. In the fourth Ni site, Ni(4) is bonded to two equivalent O(3) and four equivalent O(6) atoms to form distorted NiO6 octahedra that share corners with four equivalent Y(2)O4 tetrahedra, edges with two equivalent Ni(6)O6 octahedra, and edges with four equivalent Ni(2)O6 octahedra. Both Ni(4)-O(3) bond lengths are 2.08 Å. All Ni(4)-O(6) bond lengths are 2.07 Å. In the fifth Ni site, Ni(5) is bonded to two equivalent O(7) and four equivalent O(4) atoms to form NiO6 octahedra that share corners with six equivalent Y(1)O4 tetrahedra, edges with two equivalent Ni(3)O6 octahedra, and edges with four equivalent Ni(1)O6 octahedra. Both Ni(5)-O(7) bond lengths are 2.07 Å. All Ni(5)-O(4) bond lengths are 2.08 Å. In the sixth Ni site, Ni(6) is bonded to one O(8), one O(9), two equivalent O(5), and two equivalent O(6) atoms to form NiO6 octahedra that share corners with three equivalent Y(2)O4 tetrahedra,  an edgeedge with one Ni(3)O6 octahedra,  an edgeedge with one Ni(4)O6 octahedra, edges with two equivalent Ni(1)O6 octahedra, and edges with two equivalent Ni(2)O6 octahedra. The Ni(6)-O(8) bond length is 1.93 Å. The Ni(6)-O(9) bond length is 1.95 Å. Both Ni(6)-O(5) bond lengths are 1.94 Å. Both Ni(6)-O(6) bond lengths are 1.96 Å. There are nine inequivalent O sites. In the first O site, O(1) is bonded in a rectangular see-saw-like geometry to one Y(1), one Ni(3), and two equivalent Ni(1) atoms. In the second O site, O(2) is bonded to one Y(2), one Ni(3), and two equivalent Ni(1) atoms to form a mixture of distorted corner and edge-sharing OYNi3 tetrahedra. In the third O site, O(3) is bonded in a trigonal non-coplanar geometry to one Ni(4) and two equivalent Ni(2) atoms. In the fourth O site, O(4) is bonded to one Y(1), one Ni(1), one Ni(3), and one Ni(5) atom to form a mixture of corner and edge-sharing OYNi3 tetrahedra. In the fifth O site, O(5) is bonded in a distorted trigonal non-coplanar geometry to one Ni(1), one Ni(3), and one Ni(6) atom. In the sixth O site, O(6) is bonded to one Y(2), one Ni(2), one Ni(4), and one Ni(6) atom to form a mixture of distorted corner and edge-sharing OYNi3 tetrahedra. In the seventh O site, O(7) is bonded to one Y(1), one Ni(5), and two equivalent Ni(1) atoms to form a mixture of corner and edge-sharing OYNi3 tetrahedra. In the eighth O site, O(8) is bonded in a distorted trigonal non-coplanar geometry to one Ni(6) and two equivalent Ni(1) atoms. In the ninth O site, O(9) is bonded to one Y(2), one Ni(6), and two equivalent Ni(2) atoms to form a mixture of distorted corner and edge-sharing OYNi3 tetrahedra.