The material described by Nd2Tc2O7 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 Tc(1)O6 octahedra. Tc(1) is bonded to six equivalent O(1) atoms to form TcO6 octahedra that share corners with six equivalent Tc(1)O6 octahedra and edges with six equivalent Nd(1)O8 hexagonal bipyramids. The corner-sharing octahedral tilt angles are 49°. There are two inequivalent O sites. In the first O site, O(1) is bonded to two equivalent Nd(1) and two equivalent Tc(1) atoms to form distorted ONd2Tc2 tetrahedra that share corners with two equivalent O(2)Nd4 tetrahedra, corners with twelve equivalent O(1)Nd2Tc2 tetrahedra,  an edgeedge with one O(2)Nd4 tetrahedra, and edges with four equivalent O(1)Nd2Tc2 tetrahedra. In the second O site, O(2) is bonded to four equivalent Nd(1) atoms to form ONd4 tetrahedra that share corners with four equivalent O(2)Nd4 tetrahedra, corners with twelve equivalent O(1)Nd2Tc2 tetrahedra, and edges with six equivalent O(1)Nd2Tc2 tetrahedra. is represented by the Crystallographic Information File (CIF) [CIF]
data_Nd2Tc2O7
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   7.391
_cell_length_b   7.391
_cell_length_c   7.391
_cell_angle_alpha   60.000
_cell_angle_beta   60.000
_cell_angle_gamma   60.000
_symmetry_Int_Tables_number   1
_cell_volume   285.451
_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  0.125  0.625  0.625  1.0
  Nd  Nd1  1  0.625  0.125  0.625  1.0
  Nd  Nd2  1  0.625  0.625  0.125  1.0
  Nd  Nd3  1  0.625  0.625  0.625  1.0
  Tc  Tc4  1  0.625  0.125  0.125  1.0
  Tc  Tc5  1  0.125  0.625  0.125  1.0
  Tc  Tc6  1  0.125  0.125  0.625  1.0
  Tc  Tc7  1  0.125  0.125  0.125  1.0
  O  O8  1  0.794  0.794  0.206  1.0
  O  O9  1  0.206  0.206  0.794  1.0
  O  O10  1  0.794  0.206  0.794  1.0
  O  O11  1  0.206  0.794  0.206  1.0
  O  O12  1  0.206  0.794  0.794  1.0
  O  O13  1  0.794  0.206  0.206  1.0
  O  O14  1  0.456  0.456  0.044  1.0
  O  O15  1  0.044  0.044  0.456  1.0
  O  O16  1  0.456  0.044  0.456  1.0
  O  O17  1  0.044  0.456  0.044  1.0
  O  O18  1  0.044  0.456  0.456  1.0
  O  O19  1  0.456  0.044  0.044  1.0
  O  O20  1  0.500  0.500  0.500  1.0
  O  O21  1  0.750  0.750  0.750  1.0
[/CIF]
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The material described by Nd2Tc2O7 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 Tc(1)O6 octahedra. Tc(1) is bonded to six equivalent O(1) atoms to form TcO6 octahedra that share corners with six equivalent Tc(1)O6 octahedra and edges with six equivalent Nd(1)O8 hexagonal bipyramids. The corner-sharing octahedral tilt angles are 49°. There are two inequivalent O sites. In the first O site, O(1) is bonded to two equivalent Nd(1) and two equivalent Tc(1) atoms to form distorted ONd2Tc2 tetrahedra that share corners with two equivalent O(2)Nd4 tetrahedra, corners with twelve equivalent O(1)Nd2Tc2 tetrahedra,  an edgeedge with one O(2)Nd4 tetrahedra, and edges with four equivalent O(1)Nd2Tc2 tetrahedra. In the second O site, O(2) is bonded to four equivalent Nd(1) atoms to form ONd4 tetrahedra that share corners with four equivalent O(2)Nd4 tetrahedra, corners with twelve equivalent O(1)Nd2Tc2 tetrahedra, and edges with six equivalent O(1)Nd2Tc2 tetrahedra. is represented by the Crystallographic Information File (CIF) [CIF]
data_Nd2Tc2O7
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   7.391
_cell_length_b   7.391
_cell_length_c   7.391
_cell_angle_alpha   60.000
_cell_angle_beta   60.000
_cell_angle_gamma   60.000
_symmetry_Int_Tables_number   1
_cell_volume   285.451
_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  0.125  0.625  0.625  1.0
  Nd  Nd1  1  0.625  0.125  0.625  1.0
  Nd  Nd2  1  0.625  0.625  0.125  1.0
  Nd  Nd3  1  0.625  0.625  0.625  1.0
  Tc  Tc4  1  0.625  0.125  0.125  1.0
  Tc  Tc5  1  0.125  0.625  0.125  1.0
  Tc  Tc6  1  0.125  0.125  0.625  1.0
  Tc  Tc7  1  0.125  0.125  0.125  1.0
  O  O8  1  0.794  0.794  0.206  1.0
  O  O9  1  0.206  0.206  0.794  1.0
  O  O10  1  0.794  0.206  0.794  1.0
  O  O11  1  0.206  0.794  0.206  1.0
  O  O12  1  0.206  0.794  0.794  1.0
  O  O13  1  0.794  0.206  0.206  1.0
  O  O14  1  0.456  0.456  0.044  1.0
  O  O15  1  0.044  0.044  0.456  1.0
  O  O16  1  0.456  0.044  0.456  1.0
  O  O17  1  0.044  0.456  0.044  1.0
  O  O18  1  0.044  0.456  0.456  1.0
  O  O19  1  0.456  0.044  0.044  1.0
  O  O20  1  0.500  0.500  0.500  1.0
  O  O21  1  0.750  0.750  0.750  1.0
[/CIF]
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