The crystal structure described by NaBaBi crystallizes in the hexagonal P-62m space group. Na(1) is bonded to two equivalent Bi(1) and two equivalent Bi(2) atoms to form a mixture of distorted edge and corner-sharing NaBi4 tetrahedra. Ba(1) is bonded in a 5-coordinate geometry to one Bi(1) and four equivalent Bi(2) atoms. There are two inequivalent Bi sites. In the first Bi site, Bi(1) is bonded in a 9-coordinate geometry to six equivalent Na(1) and three equivalent Ba(1) atoms. In the second Bi site, Bi(2) is bonded in a 9-coordinate geometry to three equivalent Na(1) and six equivalent Ba(1) atoms. is represented by the CIF file [CIF]
data_BaNaBi
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   8.697
_cell_length_b   8.697
_cell_length_c   5.161
_cell_angle_alpha   90.000
_cell_angle_beta   90.000
_cell_angle_gamma   120.000
_symmetry_Int_Tables_number   1
_cell_volume   338.028
_cell_formula_units_Z   3
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  0.418  0.000  0.000  1.0
  Ba  Ba1  1  0.582  0.582  0.000  1.0
  Ba  Ba2  1  0.000  0.418  0.000  1.0
  Na  Na3  1  0.760  0.000  0.500  1.0
  Na  Na4  1  0.000  0.760  0.500  1.0
  Na  Na5  1  0.240  0.240  0.500  1.0
  Bi  Bi6  1  0.000  0.000  0.000  1.0
  Bi  Bi7  1  0.333  0.667  0.500  1.0
  Bi  Bi8  1  0.667  0.333  0.500  1.0
[/CIF]
.
The crystal structure described by NaBaBi crystallizes in the hexagonal P-62m space group. Na(1) is bonded to two equivalent Bi(1) and two equivalent Bi(2) atoms to form a mixture of distorted edge and corner-sharing NaBi4 tetrahedra. Ba(1) is bonded in a 5-coordinate geometry to one Bi(1) and four equivalent Bi(2) atoms. There are two inequivalent Bi sites. In the first Bi site, Bi(1) is bonded in a 9-coordinate geometry to six equivalent Na(1) and three equivalent Ba(1) atoms. In the second Bi site, Bi(2) is bonded in a 9-coordinate geometry to three equivalent Na(1) and six equivalent Ba(1) atoms. is represented by the CIF file [CIF]
data_BaNaBi
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   8.697
_cell_length_b   8.697
_cell_length_c   5.161
_cell_angle_alpha   90.000
_cell_angle_beta   90.000
_cell_angle_gamma   120.000
_symmetry_Int_Tables_number   1
_cell_volume   338.028
_cell_formula_units_Z   3
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  0.418  0.000  0.000  1.0
  Ba  Ba1  1  0.582  0.582  0.000  1.0
  Ba  Ba2  1  0.000  0.418  0.000  1.0
  Na  Na3  1  0.760  0.000  0.500  1.0
  Na  Na4  1  0.000  0.760  0.500  1.0
  Na  Na5  1  0.240  0.240  0.500  1.0
  Bi  Bi6  1  0.000  0.000  0.000  1.0
  Bi  Bi7  1  0.333  0.667  0.500  1.0
  Bi  Bi8  1  0.667  0.333  0.500  1.0
[/CIF]
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