The material structure described by NaBi(WO4)2 is Zircon-derived structured and crystallizes in the tetragonal I-4 space group. Na(1) is bonded in a 8-coordinate geometry to four equivalent O(1) and four equivalent O(2) atoms. There are two inequivalent W sites. In the first W site, W(1) is bonded in a tetrahedral geometry to four equivalent O(1) atoms. In the second W site, W(2) is bonded in a tetrahedral geometry to four equivalent O(2) atoms. Bi(1) is bonded in a 8-coordinate geometry to four equivalent O(1) and four equivalent O(2) atoms. There are two inequivalent O sites. In the first O site, O(1) is bonded in a 3-coordinate geometry to one Na(1), one W(1), and one Bi(1) atom. In the second O site, O(2) is bonded in a 3-coordinate geometry to one Na(1), one W(2), and one Bi(1) atom. is represented by the CIF file [CIF]
data_NaBi(WO4)2
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   6.930
_cell_length_b   6.930
_cell_length_c   6.930
_cell_angle_alpha   134.482
_cell_angle_beta   134.482
_cell_angle_gamma   66.336
_symmetry_Int_Tables_number   1
_cell_volume   166.802
_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
  Na  Na0  1  0.500  0.500  0.000  1.0
  Bi  Bi1  1  0.250  0.750  0.500  1.0
  W  W2  1  0.000  0.000  0.000  1.0
  W  W3  1  0.750  0.250  0.500  1.0
  O  O4  1  0.671  0.060  0.907  1.0
  O  O5  1  0.153  0.764  0.093  1.0
  O  O6  1  0.508  0.923  0.100  1.0
  O  O7  1  0.823  0.409  0.900  1.0
  O  O8  1  0.077  0.177  0.585  1.0
  O  O9  1  0.591  0.492  0.415  1.0
  O  O10  1  0.236  0.329  0.389  1.0
  O  O11  1  0.940  0.847  0.611  1.0
[/CIF]
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The material structure described by NaBi(WO4)2 is Zircon-derived structured and crystallizes in the tetragonal I-4 space group. Na(1) is bonded in a 8-coordinate geometry to four equivalent O(1) and four equivalent O(2) atoms. There are two inequivalent W sites. In the first W site, W(1) is bonded in a tetrahedral geometry to four equivalent O(1) atoms. In the second W site, W(2) is bonded in a tetrahedral geometry to four equivalent O(2) atoms. Bi(1) is bonded in a 8-coordinate geometry to four equivalent O(1) and four equivalent O(2) atoms. There are two inequivalent O sites. In the first O site, O(1) is bonded in a 3-coordinate geometry to one Na(1), one W(1), and one Bi(1) atom. In the second O site, O(2) is bonded in a 3-coordinate geometry to one Na(1), one W(2), and one Bi(1) atom. is represented by the CIF file [CIF]
data_NaBi(WO4)2
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   6.930
_cell_length_b   6.930
_cell_length_c   6.930
_cell_angle_alpha   134.482
_cell_angle_beta   134.482
_cell_angle_gamma   66.336
_symmetry_Int_Tables_number   1
_cell_volume   166.802
_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
  Na  Na0  1  0.500  0.500  0.000  1.0
  Bi  Bi1  1  0.250  0.750  0.500  1.0
  W  W2  1  0.000  0.000  0.000  1.0
  W  W3  1  0.750  0.250  0.500  1.0
  O  O4  1  0.671  0.060  0.907  1.0
  O  O5  1  0.153  0.764  0.093  1.0
  O  O6  1  0.508  0.923  0.100  1.0
  O  O7  1  0.823  0.409  0.900  1.0
  O  O8  1  0.077  0.177  0.585  1.0
  O  O9  1  0.591  0.492  0.415  1.0
  O  O10  1  0.236  0.329  0.389  1.0
  O  O11  1  0.940  0.847  0.611  1.0
[/CIF]
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