The material structure described by Nd4Re6O19 crystallizes in the cubic I23 space group. Nd(1) is bonded in a 10-coordinate geometry to one O(2), three equivalent O(1), and six equivalent O(3) atoms. Re(1) is bonded to two equivalent O(1) and four equivalent O(3) atoms to form a mixture of corner and edge-sharing ReO6 octahedra. The corner-sharing octahedral tilt angles are 55°. There are three 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 Re(1) atoms. In the second O site, O(2) is bonded in a tetrahedral geometry to four equivalent Nd(1) atoms. In the third O site, O(3) is bonded in a 4-coordinate geometry to two equivalent Nd(1) and two equivalent Re(1) atoms. is represented by the CIF file [CIF]
data_Nd4Re6O19
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   7.788
_cell_length_b   7.788
_cell_length_c   7.788
_cell_angle_alpha   109.472
_cell_angle_beta   109.471
_cell_angle_gamma   109.470
_symmetry_Int_Tables_number   1
_cell_volume   363.577
_cell_formula_units_Z   1
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  0.688  0.688  0.688  1.0
  Nd  Nd1  1  0.312  1.000  1.000  1.0
  Nd  Nd2  1  0.000  0.312  1.000  1.0
  Nd  Nd3  1  0.000  1.000  0.312  1.0
  Re  Re4  1  0.367  0.867  0.500  1.0
  Re  Re5  1  0.633  0.133  0.500  1.0
  Re  Re6  1  0.867  0.500  0.367  1.0
  Re  Re7  1  0.133  0.500  0.633  1.0
  Re  Re8  1  0.500  0.367  0.867  1.0
  Re  Re9  1  0.500  0.633  0.133  1.0
  O  O10  1  0.681  0.681  0.000  1.0
  O  O11  1  0.319  0.319  1.000  1.0
  O  O12  1  0.681  0.000  0.681  1.0
  O  O13  1  0.319  1.000  0.319  1.0
  O  O14  1  1.000  0.681  0.681  1.0
  O  O15  1  0.000  0.319  0.319  1.0
  O  O16  1  1.000  0.000  1.000  1.0
  O  O17  1  0.358  0.621  0.302  1.0
  O  O18  1  0.642  0.944  0.263  1.0
  O  O19  1  0.681  0.379  0.737  1.0
  O  O20  1  0.621  0.302  0.358  1.0
  O  O21  1  0.319  0.056  0.698  1.0
  O  O22  1  0.944  0.263  0.642  1.0
  O  O23  1  0.379  0.737  0.681  1.0
  O  O24  1  0.056  0.698  0.319  1.0
  O  O25  1  0.302  0.358  0.621  1.0
  O  O26  1  0.737  0.681  0.379  1.0
  O  O27  1  0.698  0.319  0.056  1.0
  O  O28  1  0.263  0.642  0.944  1.0
[/CIF]
.
The material structure described by Nd4Re6O19 crystallizes in the cubic I23 space group. Nd(1) is bonded in a 10-coordinate geometry to one O(2), three equivalent O(1), and six equivalent O(3) atoms. Re(1) is bonded to two equivalent O(1) and four equivalent O(3) atoms to form a mixture of corner and edge-sharing ReO6 octahedra. The corner-sharing octahedral tilt angles are 55°. There are three 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 Re(1) atoms. In the second O site, O(2) is bonded in a tetrahedral geometry to four equivalent Nd(1) atoms. In the third O site, O(3) is bonded in a 4-coordinate geometry to two equivalent Nd(1) and two equivalent Re(1) atoms. is represented by the CIF file [CIF]
data_Nd4Re6O19
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   7.788
_cell_length_b   7.788
_cell_length_c   7.788
_cell_angle_alpha   109.472
_cell_angle_beta   109.471
_cell_angle_gamma   109.470
_symmetry_Int_Tables_number   1
_cell_volume   363.577
_cell_formula_units_Z   1
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  0.688  0.688  0.688  1.0
  Nd  Nd1  1  0.312  1.000  1.000  1.0
  Nd  Nd2  1  0.000  0.312  1.000  1.0
  Nd  Nd3  1  0.000  1.000  0.312  1.0
  Re  Re4  1  0.367  0.867  0.500  1.0
  Re  Re5  1  0.633  0.133  0.500  1.0
  Re  Re6  1  0.867  0.500  0.367  1.0
  Re  Re7  1  0.133  0.500  0.633  1.0
  Re  Re8  1  0.500  0.367  0.867  1.0
  Re  Re9  1  0.500  0.633  0.133  1.0
  O  O10  1  0.681  0.681  0.000  1.0
  O  O11  1  0.319  0.319  1.000  1.0
  O  O12  1  0.681  0.000  0.681  1.0
  O  O13  1  0.319  1.000  0.319  1.0
  O  O14  1  1.000  0.681  0.681  1.0
  O  O15  1  0.000  0.319  0.319  1.0
  O  O16  1  1.000  0.000  1.000  1.0
  O  O17  1  0.358  0.621  0.302  1.0
  O  O18  1  0.642  0.944  0.263  1.0
  O  O19  1  0.681  0.379  0.737  1.0
  O  O20  1  0.621  0.302  0.358  1.0
  O  O21  1  0.319  0.056  0.698  1.0
  O  O22  1  0.944  0.263  0.642  1.0
  O  O23  1  0.379  0.737  0.681  1.0
  O  O24  1  0.056  0.698  0.319  1.0
  O  O25  1  0.302  0.358  0.621  1.0
  O  O26  1  0.737  0.681  0.379  1.0
  O  O27  1  0.698  0.319  0.056  1.0
  O  O28  1  0.263  0.642  0.944  1.0
[/CIF]
.