Y2Ni2O7 crystallizes in the cubic Fd-3m space group. Y(1) is bonded to two equivalent O(1) and six equivalent O(2) atoms to form distorted YO8 hexagonal bipyramids that share edges with six equivalent Y(1)O8 hexagonal bipyramids and edges with six equivalent Ni(1)O6 octahedra. Ni(1) is bonded to six equivalent O(2) atoms to form NiO6 octahedra that share corners with six equivalent Ni(1)O6 octahedra and edges with six equivalent Y(1)O8 hexagonal bipyramids. The corner-sharing octahedral tilt angles are 48°. There are two inequivalent O sites. In the first O site, O(1) is bonded to four equivalent Y(1) atoms to form OY4 tetrahedra that share corners with four equivalent O(1)Y4 tetrahedra, corners with twelve equivalent O(2)Y2Ni2 tetrahedra, and edges with six equivalent O(2)Y2Ni2 tetrahedra. In the second O site, O(2) is bonded to two equivalent Y(1) and two equivalent Ni(1) atoms to form distorted OY2Ni2 tetrahedra that share corners with two equivalent O(1)Y4 tetrahedra, corners with twelve equivalent O(2)Y2Ni2 tetrahedra,  an edgeedge with one O(1)Y4 tetrahedra, and edges with four equivalent O(2)Y2Ni2 tetrahedra.
Y2Ni2O7 crystallizes in the cubic Fd-3m space group. Y(1) is bonded to two equivalent O(1) and six equivalent O(2) atoms to form distorted YO8 hexagonal bipyramids that share edges with six equivalent Y(1)O8 hexagonal bipyramids and edges with six equivalent Ni(1)O6 octahedra. Both Y(1)-O(1) bond lengths are 2.14 Å. All Y(1)-O(2) bond lengths are 2.43 Å. Ni(1) is bonded to six equivalent O(2) atoms to form NiO6 octahedra that share corners with six equivalent Ni(1)O6 octahedra and edges with six equivalent Y(1)O8 hexagonal bipyramids. The corner-sharing octahedral tilt angles are 48°. All Ni(1)-O(2) bond lengths are 1.91 Å. There are two inequivalent O sites. In the first O site, O(1) is bonded to four equivalent Y(1) atoms to form OY4 tetrahedra that share corners with four equivalent O(1)Y4 tetrahedra, corners with twelve equivalent O(2)Y2Ni2 tetrahedra, and edges with six equivalent O(2)Y2Ni2 tetrahedra. In the second O site, O(2) is bonded to two equivalent Y(1) and two equivalent Ni(1) atoms to form distorted OY2Ni2 tetrahedra that share corners with two equivalent O(1)Y4 tetrahedra, corners with twelve equivalent O(2)Y2Ni2 tetrahedra,  an edgeedge with one O(1)Y4 tetrahedra, and edges with four equivalent O(2)Y2Ni2 tetrahedra.