The material structure described by Nd2Ru2O7 crystallizes in the tetragonal I4_1/amd space group. Nd(1) is bonded to two equivalent O(1), two equivalent O(3), and four equivalent O(2) atoms to form distorted NdO8 hexagonal bipyramids that share edges with six equivalent Nd(1)O8 hexagonal bipyramids and edges with six equivalent Ru(1)O6 octahedra. Ru(1) is bonded to two equivalent O(1) and four equivalent O(2) atoms to form RuO6 octahedra that share corners with six equivalent Ru(1)O6 octahedra and edges with six equivalent Nd(1)O8 hexagonal bipyramids. The corner-sharing octahedral tilt angles range from 49-50°. There are three inequivalent O sites. In the first O site, O(1) is bonded to two equivalent Nd(1) and two equivalent Ru(1) atoms to form distorted ONd2Ru2 tetrahedra that share corners with two equivalent O(3)Nd4 tetrahedra, corners with four equivalent O(1)Nd2Ru2 tetrahedra, corners with eight equivalent O(2)Nd2Ru2 tetrahedra,  an edgeedge with one O(3)Nd4 tetrahedra, and edges with four equivalent O(2)Nd2Ru2 tetrahedra. In the second O site, O(2) is bonded to two equivalent Nd(1) and two equivalent Ru(1) atoms to form distorted ONd2Ru2 tetrahedra that share corners with two equivalent O(3)Nd4 tetrahedra, corners with four equivalent O(1)Nd2Ru2 tetrahedra, corners with eight equivalent O(2)Nd2Ru2 tetrahedra,  an edgeedge with one O(3)Nd4 tetrahedra, edges with two equivalent O(1)Nd2Ru2 tetrahedra, and edges with two equivalent O(2)Nd2Ru2 tetrahedra. In the third O site, O(3) is bonded to four equivalent Nd(1) atoms to form ONd4 tetrahedra that share corners with four equivalent O(1)Nd2Ru2 tetrahedra, corners with four equivalent O(3)Nd4 tetrahedra, corners with eight equivalent O(2)Nd2Ru2 tetrahedra, edges with two equivalent O(1)Nd2Ru2 tetrahedra, and edges with four equivalent O(2)Nd2Ru2 tetrahedra. is represented by the CIF card [CIF]
data_Nd2Ru2O7
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   7.340
_cell_length_b   7.340
_cell_length_c   7.338
_cell_angle_alpha   60.008
_cell_angle_beta   60.008
_cell_angle_gamma   59.983
_symmetry_Int_Tables_number   1
_cell_volume   279.561
_cell_formula_units_Z   2
loop_
 _symmetry_equiv_pos_site_id
 _symmetry_equiv_pos_as_xyz
  1  'x, y, z'
loop_
 _atom_site_type_symbol
 _atom_site_label
 _atom_site_symmetry_multiplicity
 _atom_site_fract_x
 _atom_site_fract_y
 _atom_site_fract_z
 _atom_site_occupancy
  Nd  Nd0  1  0.625  0.125  0.125  1.0
  Nd  Nd1  1  0.125  0.625  0.125  1.0
  Nd  Nd2  1  0.125  0.125  0.625  1.0
  Nd  Nd3  1  0.125  0.125  0.125  1.0
  Ru  Ru4  1  0.125  0.625  0.625  1.0
  Ru  Ru5  1  0.625  0.125  0.625  1.0
  Ru  Ru6  1  0.625  0.625  0.125  1.0
  Ru  Ru7  1  0.625  0.625  0.625  1.0
  O  O8  1  0.708  0.708  0.292  1.0
  O  O9  1  0.292  0.292  0.708  1.0
  O  O10  1  0.705  0.295  0.705  1.0
  O  O11  1  0.295  0.705  0.295  1.0
  O  O12  1  0.295  0.705  0.705  1.0
  O  O13  1  0.705  0.295  0.295  1.0
  O  O14  1  0.542  0.542  0.958  1.0
  O  O15  1  0.958  0.958  0.542  1.0
  O  O16  1  0.545  0.955  0.545  1.0
  O  O17  1  0.955  0.545  0.955  1.0
  O  O18  1  0.955  0.545  0.545  1.0
  O  O19  1  0.545  0.955  0.955  1.0
  O  O20  1  0.250  0.250  0.250  1.0
  O  O21  1  1.000  1.000  0.000  1.0
[/CIF]
.
The material structure described by Nd2Ru2O7 crystallizes in the tetragonal I4_1/amd space group. Nd(1) is bonded to two equivalent O(1), two equivalent O(3), and four equivalent O(2) atoms to form distorted NdO8 hexagonal bipyramids that share edges with six equivalent Nd(1)O8 hexagonal bipyramids and edges with six equivalent Ru(1)O6 octahedra. Ru(1) is bonded to two equivalent O(1) and four equivalent O(2) atoms to form RuO6 octahedra that share corners with six equivalent Ru(1)O6 octahedra and edges with six equivalent Nd(1)O8 hexagonal bipyramids. The corner-sharing octahedral tilt angles range from 49-50°. There are three inequivalent O sites. In the first O site, O(1) is bonded to two equivalent Nd(1) and two equivalent Ru(1) atoms to form distorted ONd2Ru2 tetrahedra that share corners with two equivalent O(3)Nd4 tetrahedra, corners with four equivalent O(1)Nd2Ru2 tetrahedra, corners with eight equivalent O(2)Nd2Ru2 tetrahedra,  an edgeedge with one O(3)Nd4 tetrahedra, and edges with four equivalent O(2)Nd2Ru2 tetrahedra. In the second O site, O(2) is bonded to two equivalent Nd(1) and two equivalent Ru(1) atoms to form distorted ONd2Ru2 tetrahedra that share corners with two equivalent O(3)Nd4 tetrahedra, corners with four equivalent O(1)Nd2Ru2 tetrahedra, corners with eight equivalent O(2)Nd2Ru2 tetrahedra,  an edgeedge with one O(3)Nd4 tetrahedra, edges with two equivalent O(1)Nd2Ru2 tetrahedra, and edges with two equivalent O(2)Nd2Ru2 tetrahedra. In the third O site, O(3) is bonded to four equivalent Nd(1) atoms to form ONd4 tetrahedra that share corners with four equivalent O(1)Nd2Ru2 tetrahedra, corners with four equivalent O(3)Nd4 tetrahedra, corners with eight equivalent O(2)Nd2Ru2 tetrahedra, edges with two equivalent O(1)Nd2Ru2 tetrahedra, and edges with four equivalent O(2)Nd2Ru2 tetrahedra. is represented by the CIF card [CIF]
data_Nd2Ru2O7
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   7.340
_cell_length_b   7.340
_cell_length_c   7.338
_cell_angle_alpha   60.008
_cell_angle_beta   60.008
_cell_angle_gamma   59.983
_symmetry_Int_Tables_number   1
_cell_volume   279.561
_cell_formula_units_Z   2
loop_
 _symmetry_equiv_pos_site_id
 _symmetry_equiv_pos_as_xyz
  1  'x, y, z'
loop_
 _atom_site_type_symbol
 _atom_site_label
 _atom_site_symmetry_multiplicity
 _atom_site_fract_x
 _atom_site_fract_y
 _atom_site_fract_z
 _atom_site_occupancy
  Nd  Nd0  1  0.625  0.125  0.125  1.0
  Nd  Nd1  1  0.125  0.625  0.125  1.0
  Nd  Nd2  1  0.125  0.125  0.625  1.0
  Nd  Nd3  1  0.125  0.125  0.125  1.0
  Ru  Ru4  1  0.125  0.625  0.625  1.0
  Ru  Ru5  1  0.625  0.125  0.625  1.0
  Ru  Ru6  1  0.625  0.625  0.125  1.0
  Ru  Ru7  1  0.625  0.625  0.625  1.0
  O  O8  1  0.708  0.708  0.292  1.0
  O  O9  1  0.292  0.292  0.708  1.0
  O  O10  1  0.705  0.295  0.705  1.0
  O  O11  1  0.295  0.705  0.295  1.0
  O  O12  1  0.295  0.705  0.705  1.0
  O  O13  1  0.705  0.295  0.295  1.0
  O  O14  1  0.542  0.542  0.958  1.0
  O  O15  1  0.958  0.958  0.542  1.0
  O  O16  1  0.545  0.955  0.545  1.0
  O  O17  1  0.955  0.545  0.955  1.0
  O  O18  1  0.955  0.545  0.545  1.0
  O  O19  1  0.545  0.955  0.955  1.0
  O  O20  1  0.250  0.250  0.250  1.0
  O  O21  1  1.000  1.000  0.000  1.0
[/CIF]
.