The structure described by Ba3Pb5 crystallizes in the orthorhombic Cmcm space group. There are two inequivalent Ba sites. In the first Ba site, Ba(1) is bonded in a 9-coordinate geometry to one Pb(3), four equivalent Pb(1), and four equivalent Pb(2) atoms. In the second Ba site, Ba(2) is bonded in a 10-coordinate geometry to two equivalent Pb(3), four equivalent Pb(1), and four equivalent Pb(2) atoms. There are three inequivalent Pb sites. In the first Pb site, Pb(1) is bonded in a 9-coordinate geometry to two equivalent Ba(1), four equivalent Ba(2), one Pb(3), and two equivalent Pb(2) atoms. In the second Pb site, Pb(2) is bonded in a 9-coordinate geometry to two equivalent Ba(1), four equivalent Ba(2), one Pb(3), and two equivalent Pb(1) atoms. In the third Pb site, Pb(3) is bonded in a 9-coordinate geometry to one Ba(1), four equivalent Ba(2), two equivalent Pb(1), and two equivalent Pb(2) atoms. is represented by the CIF card [CIF]
data_Ba3Pb5
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   7.313
_cell_length_b   7.313
_cell_length_c   11.505
_cell_angle_alpha   90.000
_cell_angle_beta   90.000
_cell_angle_gamma   101.364
_symmetry_Int_Tables_number   1
_cell_volume   603.215
_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  0.860  0.860  0.750  1.0
  Ba  Ba1  1  0.707  0.293  0.500  1.0
  Ba  Ba2  1  0.293  0.707  0.500  1.0
  Ba  Ba3  1  0.293  0.707  0.000  1.0
  Ba  Ba4  1  0.140  0.140  0.250  1.0
  Ba  Ba5  1  0.707  0.293  0.000  1.0
  Pb  Pb6  1  0.412  0.015  0.750  1.0
  Pb  Pb7  1  0.985  0.588  0.250  1.0
  Pb  Pb8  1  0.196  0.196  0.556  1.0
  Pb  Pb9  1  0.196  0.196  0.944  1.0
  Pb  Pb10  1  0.544  0.544  0.250  1.0
  Pb  Pb11  1  0.804  0.804  0.444  1.0
  Pb  Pb12  1  0.456  0.456  0.750  1.0
  Pb  Pb13  1  0.588  0.985  0.250  1.0
  Pb  Pb14  1  0.015  0.412  0.750  1.0
  Pb  Pb15  1  0.804  0.804  0.056  1.0
[/CIF]
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The structure described by Ba3Pb5 crystallizes in the orthorhombic Cmcm space group. There are two inequivalent Ba sites. In the first Ba site, Ba(1) is bonded in a 9-coordinate geometry to one Pb(3), four equivalent Pb(1), and four equivalent Pb(2) atoms. In the second Ba site, Ba(2) is bonded in a 10-coordinate geometry to two equivalent Pb(3), four equivalent Pb(1), and four equivalent Pb(2) atoms. There are three inequivalent Pb sites. In the first Pb site, Pb(1) is bonded in a 9-coordinate geometry to two equivalent Ba(1), four equivalent Ba(2), one Pb(3), and two equivalent Pb(2) atoms. In the second Pb site, Pb(2) is bonded in a 9-coordinate geometry to two equivalent Ba(1), four equivalent Ba(2), one Pb(3), and two equivalent Pb(1) atoms. In the third Pb site, Pb(3) is bonded in a 9-coordinate geometry to one Ba(1), four equivalent Ba(2), two equivalent Pb(1), and two equivalent Pb(2) atoms. is represented by the CIF card [CIF]
data_Ba3Pb5
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   7.313
_cell_length_b   7.313
_cell_length_c   11.505
_cell_angle_alpha   90.000
_cell_angle_beta   90.000
_cell_angle_gamma   101.364
_symmetry_Int_Tables_number   1
_cell_volume   603.215
_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  0.860  0.860  0.750  1.0
  Ba  Ba1  1  0.707  0.293  0.500  1.0
  Ba  Ba2  1  0.293  0.707  0.500  1.0
  Ba  Ba3  1  0.293  0.707  0.000  1.0
  Ba  Ba4  1  0.140  0.140  0.250  1.0
  Ba  Ba5  1  0.707  0.293  0.000  1.0
  Pb  Pb6  1  0.412  0.015  0.750  1.0
  Pb  Pb7  1  0.985  0.588  0.250  1.0
  Pb  Pb8  1  0.196  0.196  0.556  1.0
  Pb  Pb9  1  0.196  0.196  0.944  1.0
  Pb  Pb10  1  0.544  0.544  0.250  1.0
  Pb  Pb11  1  0.804  0.804  0.444  1.0
  Pb  Pb12  1  0.456  0.456  0.750  1.0
  Pb  Pb13  1  0.588  0.985  0.250  1.0
  Pb  Pb14  1  0.015  0.412  0.750  1.0
  Pb  Pb15  1  0.804  0.804  0.056  1.0
[/CIF]
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