The material structure described by Cd2Re2O7 crystallizes in the cubic Fd-3m space group. Re(1) is bonded to six equivalent O(2) atoms to form ReO6 octahedra that share corners with six equivalent Re(1)O6 octahedra and edges with six equivalent Cd(1)O8 hexagonal bipyramids. The corner-sharing octahedral tilt angles are 40°. Cd(1) is bonded to two equivalent O(1) and six equivalent O(2) atoms to form distorted CdO8 hexagonal bipyramids that share edges with six equivalent Cd(1)O8 hexagonal bipyramids and edges with six equivalent Re(1)O6 octahedra. There are two inequivalent O sites. In the first O site, O(1) is bonded to four equivalent Cd(1) atoms to form corner-sharing OCd4 tetrahedra. In the second O site, O(2) is bonded in a 4-coordinate geometry to two equivalent Re(1) and two equivalent Cd(1) atoms. is represented by the CIF file [CIF]
data_Cd2Re2O7
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   7.342
_cell_length_b   7.342
_cell_length_c   7.342
_cell_angle_alpha   60.000
_cell_angle_beta   60.000
_cell_angle_gamma   60.000
_symmetry_Int_Tables_number   1
_cell_volume   279.887
_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
  Cd  Cd0  1  0.125  0.625  0.125  1.0
  Cd  Cd1  1  0.125  0.125  0.625  1.0
  Cd  Cd2  1  0.625  0.125  0.125  1.0
  Cd  Cd3  1  0.125  0.125  0.125  1.0
  Re  Re4  1  0.625  0.125  0.625  1.0
  Re  Re5  1  0.625  0.625  0.125  1.0
  Re  Re6  1  0.125  0.625  0.625  1.0
  Re  Re7  1  0.625  0.625  0.625  1.0
  O  O8  1  0.000  0.000  0.000  1.0
  O  O9  1  0.250  0.250  0.250  1.0
  O  O10  1  0.311  0.311  0.689  1.0
  O  O11  1  0.561  0.561  0.939  1.0
  O  O12  1  0.689  0.311  0.689  1.0
  O  O13  1  0.689  0.311  0.311  1.0
  O  O14  1  0.311  0.689  0.689  1.0
  O  O15  1  0.311  0.689  0.311  1.0
  O  O16  1  0.689  0.689  0.311  1.0
  O  O17  1  0.939  0.561  0.561  1.0
  O  O18  1  0.561  0.939  0.939  1.0
  O  O19  1  0.939  0.939  0.561  1.0
  O  O20  1  0.939  0.561  0.939  1.0
  O  O21  1  0.561  0.939  0.561  1.0
[/CIF]
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The material structure described by Cd2Re2O7 crystallizes in the cubic Fd-3m space group. Re(1) is bonded to six equivalent O(2) atoms to form ReO6 octahedra that share corners with six equivalent Re(1)O6 octahedra and edges with six equivalent Cd(1)O8 hexagonal bipyramids. The corner-sharing octahedral tilt angles are 40°. Cd(1) is bonded to two equivalent O(1) and six equivalent O(2) atoms to form distorted CdO8 hexagonal bipyramids that share edges with six equivalent Cd(1)O8 hexagonal bipyramids and edges with six equivalent Re(1)O6 octahedra. There are two inequivalent O sites. In the first O site, O(1) is bonded to four equivalent Cd(1) atoms to form corner-sharing OCd4 tetrahedra. In the second O site, O(2) is bonded in a 4-coordinate geometry to two equivalent Re(1) and two equivalent Cd(1) atoms. is represented by the CIF file [CIF]
data_Cd2Re2O7
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   7.342
_cell_length_b   7.342
_cell_length_c   7.342
_cell_angle_alpha   60.000
_cell_angle_beta   60.000
_cell_angle_gamma   60.000
_symmetry_Int_Tables_number   1
_cell_volume   279.887
_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
  Cd  Cd0  1  0.125  0.625  0.125  1.0
  Cd  Cd1  1  0.125  0.125  0.625  1.0
  Cd  Cd2  1  0.625  0.125  0.125  1.0
  Cd  Cd3  1  0.125  0.125  0.125  1.0
  Re  Re4  1  0.625  0.125  0.625  1.0
  Re  Re5  1  0.625  0.625  0.125  1.0
  Re  Re6  1  0.125  0.625  0.625  1.0
  Re  Re7  1  0.625  0.625  0.625  1.0
  O  O8  1  0.000  0.000  0.000  1.0
  O  O9  1  0.250  0.250  0.250  1.0
  O  O10  1  0.311  0.311  0.689  1.0
  O  O11  1  0.561  0.561  0.939  1.0
  O  O12  1  0.689  0.311  0.689  1.0
  O  O13  1  0.689  0.311  0.311  1.0
  O  O14  1  0.311  0.689  0.689  1.0
  O  O15  1  0.311  0.689  0.311  1.0
  O  O16  1  0.689  0.689  0.311  1.0
  O  O17  1  0.939  0.561  0.561  1.0
  O  O18  1  0.561  0.939  0.939  1.0
  O  O19  1  0.939  0.939  0.561  1.0
  O  O20  1  0.939  0.561  0.939  1.0
  O  O21  1  0.561  0.939  0.561  1.0
[/CIF]
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