Nd2Pt2O7 crystallizes in the cubic Fd-3m space group. Nd(1) is bonded in a body-centered cubic geometry to two equivalent O(1) and six equivalent O(2) atoms. Pt(1) is bonded to six equivalent O(2) atoms to form corner-sharing PtO6 octahedra. The corner-sharing octahedral tilt angles are 51°. There are two inequivalent O sites. In the first O site, O(1) is bonded to four equivalent Nd(1) atoms to form ONd4 tetrahedra that share corners with four equivalent O(1)Nd4 tetrahedra, corners with twelve equivalent O(2)Nd2Pt2 tetrahedra, and edges with six equivalent O(2)Nd2Pt2 tetrahedra. In the second O site, O(2) is bonded to two equivalent Nd(1) and two equivalent Pt(1) atoms to form distorted ONd2Pt2 tetrahedra that share corners with two equivalent O(1)Nd4 tetrahedra, corners with twelve equivalent O(2)Nd2Pt2 tetrahedra,  an edgeedge with one O(1)Nd4 tetrahedra, and edges with four equivalent O(2)Nd2Pt2 tetrahedra.
Nd2Pt2O7 crystallizes in the cubic Fd-3m space group. Nd(1) is bonded in a body-centered cubic geometry to two equivalent O(1) and six equivalent O(2) atoms. Both Nd(1)-O(1) bond lengths are 2.26 Å. All Nd(1)-O(2) bond lengths are 2.53 Å. Pt(1) is bonded to six equivalent O(2) atoms to form corner-sharing PtO6 octahedra. The corner-sharing octahedral tilt angles are 51°. All Pt(1)-O(2) bond lengths are 2.04 Å. There are two inequivalent O sites. In the first O site, O(1) is bonded to four equivalent Nd(1) atoms to form ONd4 tetrahedra that share corners with four equivalent O(1)Nd4 tetrahedra, corners with twelve equivalent O(2)Nd2Pt2 tetrahedra, and edges with six equivalent O(2)Nd2Pt2 tetrahedra. In the second O site, O(2) is bonded to two equivalent Nd(1) and two equivalent Pt(1) atoms to form distorted ONd2Pt2 tetrahedra that share corners with two equivalent O(1)Nd4 tetrahedra, corners with twelve equivalent O(2)Nd2Pt2 tetrahedra,  an edgeedge with one O(1)Nd4 tetrahedra, and edges with four equivalent O(2)Nd2Pt2 tetrahedra.