The material structure described by NaBaNdWO6 crystallizes in the orthorhombic Pnnn space group. There are two inequivalent Na sites. In the first Na site, Na(1) is bonded in a square co-planar geometry to four equivalent O(3) atoms. In the second Na site, Na(2) is bonded in a square co-planar geometry to four equivalent O(1) atoms. There are two inequivalent Ba sites. In the first Ba site, Ba(1) is bonded to four equivalent O(1), four equivalent O(2), and four equivalent O(3) atoms to form distorted 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 8-coordinate geometry to four equivalent O(1) and four equivalent O(2) atoms. Nd(1) is bonded to two equivalent O(1), two equivalent O(2), and two equivalent O(3) 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 range from 17-21°. W(1) is bonded to two equivalent O(1), two equivalent O(2), and two equivalent O(3) 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 range from 17-21°. There are three inequivalent O sites. In the first O site, O(1) is bonded in a 5-coordinate geometry to one Na(2), one Ba(1), one Ba(2), one Nd(1), and one W(1) atom. In the second O site, O(2) is bonded in a 4-coordinate geometry to one Ba(1), one Ba(2), one Nd(1), and one W(1) atom. In the third O site, O(3) is bonded in a 4-coordinate geometry to one Na(1), one Ba(1), one Nd(1), and one W(1) atom. is represented by the CIF card [CIF]
data_BaNaNdWO6
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   8.524
_cell_length_b   8.508
_cell_length_c   8.494
_cell_angle_alpha   90.000
_cell_angle_beta   90.000
_cell_angle_gamma   90.000
_symmetry_Int_Tables_number   1
_cell_volume   616.030
_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  0.000  0.000  0.000  1.0
  Ba  Ba1  1  0.500  0.500  0.500  1.0
  Ba  Ba2  1  0.000  0.500  0.500  1.0
  Ba  Ba3  1  0.500  0.000  0.000  1.0
  Na  Na4  1  0.500  0.000  0.500  1.0
  Na  Na5  1  0.500  0.500  0.000  1.0
  Na  Na6  1  0.000  0.500  0.000  1.0
  Na  Na7  1  0.000  0.000  0.500  1.0
  Nd  Nd8  1  0.750  0.750  0.750  1.0
  Nd  Nd9  1  0.250  0.250  0.750  1.0
  Nd  Nd10  1  0.250  0.750  0.250  1.0
  Nd  Nd11  1  0.750  0.250  0.250  1.0
  W  W12  1  0.250  0.250  0.250  1.0
  W  W13  1  0.750  0.750  0.250  1.0
  W  W14  1  0.750  0.250  0.750  1.0
  W  W15  1  0.250  0.750  0.750  1.0
  O  O16  1  0.024  0.223  0.288  1.0
  O  O17  1  0.976  0.777  0.288  1.0
  O  O18  1  0.976  0.223  0.712  1.0
  O  O19  1  0.024  0.777  0.712  1.0
  O  O20  1  0.269  0.023  0.218  1.0
  O  O21  1  0.269  0.977  0.782  1.0
  O  O22  1  0.731  0.977  0.218  1.0
  O  O23  1  0.731  0.023  0.782  1.0
  O  O24  1  0.209  0.270  0.024  1.0
  O  O25  1  0.791  0.270  0.976  1.0
  O  O26  1  0.209  0.730  0.976  1.0
  O  O27  1  0.791  0.730  0.024  1.0
  O  O28  1  0.476  0.277  0.212  1.0
  O  O29  1  0.524  0.723  0.212  1.0
  O  O30  1  0.524  0.277  0.788  1.0
  O  O31  1  0.476  0.723  0.788  1.0
  O  O32  1  0.231  0.477  0.282  1.0
  O  O33  1  0.231  0.523  0.718  1.0
  O  O34  1  0.769  0.523  0.282  1.0
  O  O35  1  0.769  0.477  0.718  1.0
  O  O36  1  0.291  0.230  0.476  1.0
  O  O37  1  0.709  0.230  0.524  1.0
  O  O38  1  0.291  0.770  0.524  1.0
  O  O39  1  0.709  0.770  0.476  1.0
[/CIF]
.
The material structure described by NaBaNdWO6 crystallizes in the orthorhombic Pnnn space group. There are two inequivalent Na sites. In the first Na site, Na(1) is bonded in a square co-planar geometry to four equivalent O(3) atoms. In the second Na site, Na(2) is bonded in a square co-planar geometry to four equivalent O(1) atoms. There are two inequivalent Ba sites. In the first Ba site, Ba(1) is bonded to four equivalent O(1), four equivalent O(2), and four equivalent O(3) atoms to form distorted 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 8-coordinate geometry to four equivalent O(1) and four equivalent O(2) atoms. Nd(1) is bonded to two equivalent O(1), two equivalent O(2), and two equivalent O(3) 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 range from 17-21°. W(1) is bonded to two equivalent O(1), two equivalent O(2), and two equivalent O(3) 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 range from 17-21°. There are three inequivalent O sites. In the first O site, O(1) is bonded in a 5-coordinate geometry to one Na(2), one Ba(1), one Ba(2), one Nd(1), and one W(1) atom. In the second O site, O(2) is bonded in a 4-coordinate geometry to one Ba(1), one Ba(2), one Nd(1), and one W(1) atom. In the third O site, O(3) is bonded in a 4-coordinate geometry to one Na(1), one Ba(1), one Nd(1), and one W(1) atom. is represented by the CIF card [CIF]
data_BaNaNdWO6
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   8.524
_cell_length_b   8.508
_cell_length_c   8.494
_cell_angle_alpha   90.000
_cell_angle_beta   90.000
_cell_angle_gamma   90.000
_symmetry_Int_Tables_number   1
_cell_volume   616.030
_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  0.000  0.000  0.000  1.0
  Ba  Ba1  1  0.500  0.500  0.500  1.0
  Ba  Ba2  1  0.000  0.500  0.500  1.0
  Ba  Ba3  1  0.500  0.000  0.000  1.0
  Na  Na4  1  0.500  0.000  0.500  1.0
  Na  Na5  1  0.500  0.500  0.000  1.0
  Na  Na6  1  0.000  0.500  0.000  1.0
  Na  Na7  1  0.000  0.000  0.500  1.0
  Nd  Nd8  1  0.750  0.750  0.750  1.0
  Nd  Nd9  1  0.250  0.250  0.750  1.0
  Nd  Nd10  1  0.250  0.750  0.250  1.0
  Nd  Nd11  1  0.750  0.250  0.250  1.0
  W  W12  1  0.250  0.250  0.250  1.0
  W  W13  1  0.750  0.750  0.250  1.0
  W  W14  1  0.750  0.250  0.750  1.0
  W  W15  1  0.250  0.750  0.750  1.0
  O  O16  1  0.024  0.223  0.288  1.0
  O  O17  1  0.976  0.777  0.288  1.0
  O  O18  1  0.976  0.223  0.712  1.0
  O  O19  1  0.024  0.777  0.712  1.0
  O  O20  1  0.269  0.023  0.218  1.0
  O  O21  1  0.269  0.977  0.782  1.0
  O  O22  1  0.731  0.977  0.218  1.0
  O  O23  1  0.731  0.023  0.782  1.0
  O  O24  1  0.209  0.270  0.024  1.0
  O  O25  1  0.791  0.270  0.976  1.0
  O  O26  1  0.209  0.730  0.976  1.0
  O  O27  1  0.791  0.730  0.024  1.0
  O  O28  1  0.476  0.277  0.212  1.0
  O  O29  1  0.524  0.723  0.212  1.0
  O  O30  1  0.524  0.277  0.788  1.0
  O  O31  1  0.476  0.723  0.788  1.0
  O  O32  1  0.231  0.477  0.282  1.0
  O  O33  1  0.231  0.523  0.718  1.0
  O  O34  1  0.769  0.523  0.282  1.0
  O  O35  1  0.769  0.477  0.718  1.0
  O  O36  1  0.291  0.230  0.476  1.0
  O  O37  1  0.709  0.230  0.524  1.0
  O  O38  1  0.291  0.770  0.524  1.0
  O  O39  1  0.709  0.770  0.476  1.0
[/CIF]
.