The material structure described by Ba2NdWO6 crystallizes in the cubic Pn-3 space group. There are two inequivalent Ba sites. In the first Ba site, Ba(1) is bonded to twelve equivalent O(1) atoms to form BaO12 cuboctahedra that share faces with four equivalent Nd(1)O6 octahedra and faces with four equivalent W(1)O6 octahedra. In the second Ba site, Ba(2) is bonded in a 12-coordinate geometry to twelve equivalent O(1) atoms. Nd(1) is bonded to six equivalent O(1) atoms to form NdO6 octahedra that share corners with six equivalent W(1)O6 octahedra and faces with two equivalent Ba(1)O12 cuboctahedra. The corner-sharing octahedral tilt angles are 14°. W(1) is bonded to six equivalent O(1) atoms to form WO6 octahedra that share corners with six equivalent Nd(1)O6 octahedra and faces with two equivalent Ba(1)O12 cuboctahedra. The corner-sharing octahedral tilt angles are 14°. O(1) is bonded in a 6-coordinate geometry to one Ba(1), three equivalent Ba(2), one Nd(1), and one W(1) atom. is represented by the CIF file [CIF]
data_Ba2NdWO6
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   8.676
_cell_length_b   8.676
_cell_length_c   8.676
_cell_angle_alpha   90.000
_cell_angle_beta   90.000
_cell_angle_gamma   90.000
_symmetry_Int_Tables_number   1
_cell_volume   653.027
_cell_formula_units_Z   4
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
  Ba  Ba0  1  0.500  0.500  0.500  1.0
  Ba  Ba1  1  0.000  0.000  0.000  1.0
  Ba  Ba2  1  0.000  0.000  0.500  1.0
  Ba  Ba3  1  0.000  0.500  0.000  1.0
  Ba  Ba4  1  0.500  0.000  0.000  1.0
  Ba  Ba5  1  0.500  0.500  0.000  1.0
  Ba  Ba6  1  0.500  0.000  0.500  1.0
  Ba  Ba7  1  0.000  0.500  0.500  1.0
  Nd  Nd8  1  0.750  0.750  0.750  1.0
  Nd  Nd9  1  0.750  0.250  0.250  1.0
  Nd  Nd10  1  0.250  0.750  0.250  1.0
  Nd  Nd11  1  0.250  0.250  0.750  1.0
  W  W12  1  0.250  0.250  0.250  1.0
  W  W13  1  0.250  0.750  0.750  1.0
  W  W14  1  0.750  0.250  0.750  1.0
  W  W15  1  0.750  0.750  0.250  1.0
  O  O16  1  0.227  0.270  0.481  1.0
  O  O17  1  0.227  0.730  0.519  1.0
  O  O18  1  0.773  0.270  0.519  1.0
  O  O19  1  0.773  0.730  0.481  1.0
  O  O20  1  0.270  0.481  0.227  1.0
  O  O21  1  0.730  0.519  0.227  1.0
  O  O22  1  0.270  0.519  0.773  1.0
  O  O23  1  0.730  0.481  0.773  1.0
  O  O24  1  0.481  0.227  0.270  1.0
  O  O25  1  0.519  0.227  0.730  1.0
  O  O26  1  0.519  0.773  0.270  1.0
  O  O27  1  0.481  0.773  0.730  1.0
  O  O28  1  0.273  0.230  0.019  1.0
  O  O29  1  0.273  0.770  0.981  1.0
  O  O30  1  0.727  0.230  0.981  1.0
  O  O31  1  0.727  0.770  0.019  1.0
  O  O32  1  0.230  0.019  0.273  1.0
  O  O33  1  0.770  0.981  0.273  1.0
  O  O34  1  0.230  0.981  0.727  1.0
  O  O35  1  0.770  0.019  0.727  1.0
  O  O36  1  0.019  0.273  0.230  1.0
  O  O37  1  0.981  0.273  0.770  1.0
  O  O38  1  0.981  0.727  0.230  1.0
  O  O39  1  0.019  0.727  0.770  1.0
[/CIF]
.
The material structure described by Ba2NdWO6 crystallizes in the cubic Pn-3 space group. There are two inequivalent Ba sites. In the first Ba site, Ba(1) is bonded to twelve equivalent O(1) atoms to form BaO12 cuboctahedra that share faces with four equivalent Nd(1)O6 octahedra and faces with four equivalent W(1)O6 octahedra. In the second Ba site, Ba(2) is bonded in a 12-coordinate geometry to twelve equivalent O(1) atoms. Nd(1) is bonded to six equivalent O(1) atoms to form NdO6 octahedra that share corners with six equivalent W(1)O6 octahedra and faces with two equivalent Ba(1)O12 cuboctahedra. The corner-sharing octahedral tilt angles are 14°. W(1) is bonded to six equivalent O(1) atoms to form WO6 octahedra that share corners with six equivalent Nd(1)O6 octahedra and faces with two equivalent Ba(1)O12 cuboctahedra. The corner-sharing octahedral tilt angles are 14°. O(1) is bonded in a 6-coordinate geometry to one Ba(1), three equivalent Ba(2), one Nd(1), and one W(1) atom. is represented by the CIF file [CIF]
data_Ba2NdWO6
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   8.676
_cell_length_b   8.676
_cell_length_c   8.676
_cell_angle_alpha   90.000
_cell_angle_beta   90.000
_cell_angle_gamma   90.000
_symmetry_Int_Tables_number   1
_cell_volume   653.027
_cell_formula_units_Z   4
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
  Ba  Ba0  1  0.500  0.500  0.500  1.0
  Ba  Ba1  1  0.000  0.000  0.000  1.0
  Ba  Ba2  1  0.000  0.000  0.500  1.0
  Ba  Ba3  1  0.000  0.500  0.000  1.0
  Ba  Ba4  1  0.500  0.000  0.000  1.0
  Ba  Ba5  1  0.500  0.500  0.000  1.0
  Ba  Ba6  1  0.500  0.000  0.500  1.0
  Ba  Ba7  1  0.000  0.500  0.500  1.0
  Nd  Nd8  1  0.750  0.750  0.750  1.0
  Nd  Nd9  1  0.750  0.250  0.250  1.0
  Nd  Nd10  1  0.250  0.750  0.250  1.0
  Nd  Nd11  1  0.250  0.250  0.750  1.0
  W  W12  1  0.250  0.250  0.250  1.0
  W  W13  1  0.250  0.750  0.750  1.0
  W  W14  1  0.750  0.250  0.750  1.0
  W  W15  1  0.750  0.750  0.250  1.0
  O  O16  1  0.227  0.270  0.481  1.0
  O  O17  1  0.227  0.730  0.519  1.0
  O  O18  1  0.773  0.270  0.519  1.0
  O  O19  1  0.773  0.730  0.481  1.0
  O  O20  1  0.270  0.481  0.227  1.0
  O  O21  1  0.730  0.519  0.227  1.0
  O  O22  1  0.270  0.519  0.773  1.0
  O  O23  1  0.730  0.481  0.773  1.0
  O  O24  1  0.481  0.227  0.270  1.0
  O  O25  1  0.519  0.227  0.730  1.0
  O  O26  1  0.519  0.773  0.270  1.0
  O  O27  1  0.481  0.773  0.730  1.0
  O  O28  1  0.273  0.230  0.019  1.0
  O  O29  1  0.273  0.770  0.981  1.0
  O  O30  1  0.727  0.230  0.981  1.0
  O  O31  1  0.727  0.770  0.019  1.0
  O  O32  1  0.230  0.019  0.273  1.0
  O  O33  1  0.770  0.981  0.273  1.0
  O  O34  1  0.230  0.981  0.727  1.0
  O  O35  1  0.770  0.019  0.727  1.0
  O  O36  1  0.019  0.273  0.230  1.0
  O  O37  1  0.981  0.273  0.770  1.0
  O  O38  1  0.981  0.727  0.230  1.0
  O  O39  1  0.019  0.727  0.770  1.0
[/CIF]
.