The material described by BaPb3O4 crystallizes in the hexagonal P-62c space group. Ba(1) is bonded in a 8-coordinate geometry to two equivalent O(1) and six equivalent O(2) atoms. Pb(1) is bonded in a distorted T-shaped geometry to one O(1) and two equivalent O(2) atoms. There are two inequivalent O sites. In the first O site, O(1) is bonded in a distorted trigonal planar geometry to two equivalent Ba(1) and three equivalent Pb(1) atoms. In the second O site, O(2) is bonded in a distorted see-saw-like geometry to two equivalent Ba(1) and two equivalent Pb(1) atoms. is represented by the CIF file [CIF]
data_BaPb3O4
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   7.886
_cell_length_b   7.886
_cell_length_c   6.260
_cell_angle_alpha   90.000
_cell_angle_beta   90.000
_cell_angle_gamma   120.000
_symmetry_Int_Tables_number   1
_cell_volume   337.129
_cell_formula_units_Z   2
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  0.667  0.333  0.250  1.0
  Ba  Ba1  1  0.333  0.667  0.750  1.0
  Pb  Pb2  1  0.167  0.345  0.250  1.0
  Pb  Pb3  1  0.655  0.822  0.250  1.0
  Pb  Pb4  1  0.345  0.167  0.750  1.0
  Pb  Pb5  1  0.178  0.833  0.250  1.0
  Pb  Pb6  1  0.822  0.655  0.750  1.0
  Pb  Pb7  1  0.833  0.178  0.750  1.0
  O  O8  1  0.333  0.667  0.250  1.0
  O  O9  1  0.667  0.333  0.750  1.0
  O  O10  1  0.393  0.000  0.000  1.0
  O  O11  1  0.000  0.393  0.000  1.0
  O  O12  1  0.393  0.000  0.500  1.0
  O  O13  1  0.607  0.607  0.000  1.0
  O  O14  1  0.000  0.393  0.500  1.0
  O  O15  1  0.607  0.607  0.500  1.0
[/CIF]
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The material described by BaPb3O4 crystallizes in the hexagonal P-62c space group. Ba(1) is bonded in a 8-coordinate geometry to two equivalent O(1) and six equivalent O(2) atoms. Pb(1) is bonded in a distorted T-shaped geometry to one O(1) and two equivalent O(2) atoms. There are two inequivalent O sites. In the first O site, O(1) is bonded in a distorted trigonal planar geometry to two equivalent Ba(1) and three equivalent Pb(1) atoms. In the second O site, O(2) is bonded in a distorted see-saw-like geometry to two equivalent Ba(1) and two equivalent Pb(1) atoms. is represented by the CIF file [CIF]
data_BaPb3O4
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   7.886
_cell_length_b   7.886
_cell_length_c   6.260
_cell_angle_alpha   90.000
_cell_angle_beta   90.000
_cell_angle_gamma   120.000
_symmetry_Int_Tables_number   1
_cell_volume   337.129
_cell_formula_units_Z   2
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  0.667  0.333  0.250  1.0
  Ba  Ba1  1  0.333  0.667  0.750  1.0
  Pb  Pb2  1  0.167  0.345  0.250  1.0
  Pb  Pb3  1  0.655  0.822  0.250  1.0
  Pb  Pb4  1  0.345  0.167  0.750  1.0
  Pb  Pb5  1  0.178  0.833  0.250  1.0
  Pb  Pb6  1  0.822  0.655  0.750  1.0
  Pb  Pb7  1  0.833  0.178  0.750  1.0
  O  O8  1  0.333  0.667  0.250  1.0
  O  O9  1  0.667  0.333  0.750  1.0
  O  O10  1  0.393  0.000  0.000  1.0
  O  O11  1  0.000  0.393  0.000  1.0
  O  O12  1  0.393  0.000  0.500  1.0
  O  O13  1  0.607  0.607  0.000  1.0
  O  O14  1  0.000  0.393  0.500  1.0
  O  O15  1  0.607  0.607  0.500  1.0
[/CIF]
.