Y2Bi2O7 crystallizes in the cubic Fd-3m space group. Y(1) is bonded in a body-centered cubic geometry to two equivalent O(2) and six equivalent O(1) atoms. Bi(1) is bonded to six equivalent O(1) atoms to form distorted corner-sharing BiO6 octahedra. The corner-sharing octahedral tilt angles are 60°. There are two inequivalent O sites. In the first O site, O(1) is bonded to two equivalent Y(1) and two equivalent Bi(1) atoms to form OY2Bi2 tetrahedra that share corners with two equivalent O(2)Y4 tetrahedra, corners with twelve equivalent O(1)Y2Bi2 tetrahedra,  an edgeedge with one O(2)Y4 tetrahedra, and edges with four equivalent O(1)Y2Bi2 tetrahedra. In the second O site, O(2) is bonded to four equivalent Y(1) atoms to form OY4 tetrahedra that share corners with four equivalent O(2)Y4 tetrahedra, corners with twelve equivalent O(1)Y2Bi2 tetrahedra, and edges with six equivalent O(1)Y2Bi2 tetrahedra.
Y2Bi2O7 crystallizes in the cubic Fd-3m space group. Y(1) is bonded in a body-centered cubic geometry to two equivalent O(2) and six equivalent O(1) atoms. Both Y(1)-O(2) bond lengths are 2.37 Å. All Y(1)-O(1) bond lengths are 2.52 Å. Bi(1) is bonded to six equivalent O(1) atoms to form distorted corner-sharing BiO6 octahedra. The corner-sharing octahedral tilt angles are 60°. All Bi(1)-O(1) bond lengths are 2.24 Å. There are two inequivalent O sites. In the first O site, O(1) is bonded to two equivalent Y(1) and two equivalent Bi(1) atoms to form OY2Bi2 tetrahedra that share corners with two equivalent O(2)Y4 tetrahedra, corners with twelve equivalent O(1)Y2Bi2 tetrahedra,  an edgeedge with one O(2)Y4 tetrahedra, and edges with four equivalent O(1)Y2Bi2 tetrahedra. In the second O site, O(2) is bonded to four equivalent Y(1) atoms to form OY4 tetrahedra that share corners with four equivalent O(2)Y4 tetrahedra, corners with twelve equivalent O(1)Y2Bi2 tetrahedra, and edges with six equivalent O(1)Y2Bi2 tetrahedra.