Nd2Ti2O7 crystallizes in the cubic Fd-3m space group. Nd(1) is bonded to two equivalent O(2) and six equivalent O(1) atoms to form distorted NdO8 hexagonal bipyramids that share edges with six equivalent Nd(1)O8 hexagonal bipyramids and edges with six equivalent Ti(1)O6 octahedra. Ti(1) is bonded to six equivalent O(1) atoms to form TiO6 octahedra that share corners with six equivalent Ti(1)O6 octahedra and edges with six equivalent Nd(1)O8 hexagonal bipyramids. The corner-sharing octahedral tilt angles are 46°. There are two inequivalent O sites. In the first O site, O(1) is bonded in a 4-coordinate geometry to two equivalent Nd(1) and two equivalent Ti(1) atoms. In the second O site, O(2) is bonded to four equivalent Nd(1) atoms to form corner-sharing ONd4 tetrahedra.
Nd2Ti2O7 crystallizes in the cubic Fd-3m space group. Nd(1) is bonded to two equivalent O(2) and six equivalent O(1) atoms to form distorted NdO8 hexagonal bipyramids that share edges with six equivalent Nd(1)O8 hexagonal bipyramids and edges with six equivalent Ti(1)O6 octahedra. Both Nd(1)-O(2) bond lengths are 2.23 Å. All Nd(1)-O(1) bond lengths are 2.56 Å. Ti(1) is bonded to six equivalent O(1) atoms to form TiO6 octahedra that share corners with six equivalent Ti(1)O6 octahedra and edges with six equivalent Nd(1)O8 hexagonal bipyramids. The corner-sharing octahedral tilt angles are 46°. All Ti(1)-O(1) bond lengths are 1.98 Å. There are two inequivalent O sites. In the first O site, O(1) is bonded in a 4-coordinate geometry to two equivalent Nd(1) and two equivalent Ti(1) atoms. In the second O site, O(2) is bonded to four equivalent Nd(1) atoms to form corner-sharing ONd4 tetrahedra.