The material structure described by NaBi(MoO4)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 Mo sites. In the first Mo site, Mo(1) is bonded in a tetrahedral geometry to four equivalent O(2) atoms. In the second Mo site, Mo(2) is bonded in a tetrahedral geometry to four equivalent O(1) 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 Mo(2), and one Bi(1) atom. In the second O site, O(2) is bonded in a 3-coordinate geometry to one Na(1), one Mo(1), and one Bi(1) atom. is represented by the CIF card [CIF]
data_NaBi(MoO4)2
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   6.937
_cell_length_b   6.937
_cell_length_c   6.937
_cell_angle_alpha   134.826
_cell_angle_beta   134.826
_cell_angle_gamma   65.801
_symmetry_Int_Tables_number   1
_cell_volume   165.396
_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  0.750  0.250  0.500  1.0
  Bi  Bi1  1  0.500  0.500  0.000  1.0
  Mo  Mo2  1  0.000  0.000  0.000  1.0
  Mo  Mo3  1  0.250  0.750  0.500  1.0
  O  O4  1  0.481  0.078  0.887  1.0
  O  O5  1  0.192  0.594  0.113  1.0
  O  O6  1  0.922  0.808  0.403  1.0
  O  O7  1  0.406  0.519  0.597  1.0
  O  O8  1  0.325  0.927  0.087  1.0
  O  O9  1  0.840  0.238  0.913  1.0
  O  O10  1  0.073  0.160  0.398  1.0
  O  O11  1  0.762  0.675  0.602  1.0
[/CIF]
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The material structure described by NaBi(MoO4)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 Mo sites. In the first Mo site, Mo(1) is bonded in a tetrahedral geometry to four equivalent O(2) atoms. In the second Mo site, Mo(2) is bonded in a tetrahedral geometry to four equivalent O(1) 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 Mo(2), and one Bi(1) atom. In the second O site, O(2) is bonded in a 3-coordinate geometry to one Na(1), one Mo(1), and one Bi(1) atom. is represented by the CIF card [CIF]
data_NaBi(MoO4)2
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   6.937
_cell_length_b   6.937
_cell_length_c   6.937
_cell_angle_alpha   134.826
_cell_angle_beta   134.826
_cell_angle_gamma   65.801
_symmetry_Int_Tables_number   1
_cell_volume   165.396
_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  0.750  0.250  0.500  1.0
  Bi  Bi1  1  0.500  0.500  0.000  1.0
  Mo  Mo2  1  0.000  0.000  0.000  1.0
  Mo  Mo3  1  0.250  0.750  0.500  1.0
  O  O4  1  0.481  0.078  0.887  1.0
  O  O5  1  0.192  0.594  0.113  1.0
  O  O6  1  0.922  0.808  0.403  1.0
  O  O7  1  0.406  0.519  0.597  1.0
  O  O8  1  0.325  0.927  0.087  1.0
  O  O9  1  0.840  0.238  0.913  1.0
  O  O10  1  0.073  0.160  0.398  1.0
  O  O11  1  0.762  0.675  0.602  1.0
[/CIF]
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