The crystal structure described by La5Pb4 crystallizes in the orthorhombic Pnma space group. There are three inequivalent La sites. In the first La site, La(1) is bonded to one Pb(2), two equivalent Pb(1), and three equivalent Pb(3) atoms to form a mixture of distorted edge, face, and corner-sharing LaPb6 pentagonal pyramids. The corner-sharing octahedral tilt angles range from 40-41°. In the second La site, La(2) is bonded in a 6-coordinate geometry to one Pb(1), two equivalent Pb(2), and three equivalent Pb(3) atoms. In the third La site, La(3) is bonded to two equivalent Pb(1), two equivalent Pb(2), and two equivalent Pb(3) atoms to form a mixture of face and corner-sharing LaPb6 octahedra. The corner-sharing octahedral tilt angles range from 50-53°. There are three inequivalent Pb sites. In the first Pb site, Pb(1) is bonded in a 9-coordinate geometry to two equivalent La(2), two equivalent La(3), four equivalent La(1), and one Pb(2) atom. In the second Pb site, Pb(2) is bonded in a 9-coordinate geometry to two equivalent La(1), two equivalent La(3), four equivalent La(2), and one Pb(1) atom. In the third Pb site, Pb(3) is bonded in a 7-coordinate geometry to one La(3), three equivalent La(1), and three equivalent La(2) atoms. is represented by the CIF file [CIF]
data_La5Pb4
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   8.596
_cell_length_b   8.703
_cell_length_c   16.362
_cell_angle_alpha   90.000
_cell_angle_beta   90.000
_cell_angle_gamma   90.000
_symmetry_Int_Tables_number   1
_cell_volume   1224.098
_cell_formula_units_Z   4
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
  La  La0  1  0.884  0.658  0.884  1.0
  La  La1  1  0.384  0.842  0.616  1.0
  La  La2  1  0.616  0.158  0.116  1.0
  La  La3  1  0.116  0.342  0.384  1.0
  La  La4  1  0.116  0.342  0.116  1.0
  La  La5  1  0.616  0.158  0.384  1.0
  La  La6  1  0.384  0.842  0.884  1.0
  La  La7  1  0.884  0.658  0.616  1.0
  La  La8  1  0.034  0.177  0.897  1.0
  La  La9  1  0.534  0.323  0.603  1.0
  La  La10  1  0.466  0.677  0.103  1.0
  La  La11  1  0.966  0.823  0.397  1.0
  La  La12  1  0.966  0.823  0.103  1.0
  La  La13  1  0.466  0.677  0.397  1.0
  La  La14  1  0.534  0.323  0.897  1.0
  La  La15  1  0.034  0.177  0.603  1.0
  La  La16  1  0.714  0.996  0.750  1.0
  La  La17  1  0.214  0.504  0.750  1.0
  La  La18  1  0.786  0.496  0.250  1.0
  La  La19  1  0.286  0.004  0.250  1.0
  Pb  Pb20  1  0.082  0.879  0.750  1.0
  Pb  Pb21  1  0.582  0.621  0.750  1.0
  Pb  Pb22  1  0.418  0.379  0.250  1.0
  Pb  Pb23  1  0.918  0.121  0.250  1.0
  Pb  Pb24  1  0.839  0.357  0.750  1.0
  Pb  Pb25  1  0.339  0.143  0.750  1.0
  Pb  Pb26  1  0.661  0.857  0.250  1.0
  Pb  Pb27  1  0.161  0.643  0.250  1.0
  Pb  Pb28  1  0.774  0.470  0.045  1.0
  Pb  Pb29  1  0.274  0.030  0.455  1.0
  Pb  Pb30  1  0.726  0.970  0.955  1.0
  Pb  Pb31  1  0.226  0.530  0.545  1.0
  Pb  Pb32  1  0.226  0.530  0.955  1.0
  Pb  Pb33  1  0.726  0.970  0.545  1.0
  Pb  Pb34  1  0.274  0.030  0.045  1.0
  Pb  Pb35  1  0.774  0.470  0.455  1.0
[/CIF]
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The crystal structure described by La5Pb4 crystallizes in the orthorhombic Pnma space group. There are three inequivalent La sites. In the first La site, La(1) is bonded to one Pb(2), two equivalent Pb(1), and three equivalent Pb(3) atoms to form a mixture of distorted edge, face, and corner-sharing LaPb6 pentagonal pyramids. The corner-sharing octahedral tilt angles range from 40-41°. In the second La site, La(2) is bonded in a 6-coordinate geometry to one Pb(1), two equivalent Pb(2), and three equivalent Pb(3) atoms. In the third La site, La(3) is bonded to two equivalent Pb(1), two equivalent Pb(2), and two equivalent Pb(3) atoms to form a mixture of face and corner-sharing LaPb6 octahedra. The corner-sharing octahedral tilt angles range from 50-53°. There are three inequivalent Pb sites. In the first Pb site, Pb(1) is bonded in a 9-coordinate geometry to two equivalent La(2), two equivalent La(3), four equivalent La(1), and one Pb(2) atom. In the second Pb site, Pb(2) is bonded in a 9-coordinate geometry to two equivalent La(1), two equivalent La(3), four equivalent La(2), and one Pb(1) atom. In the third Pb site, Pb(3) is bonded in a 7-coordinate geometry to one La(3), three equivalent La(1), and three equivalent La(2) atoms. is represented by the CIF file [CIF]
data_La5Pb4
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   8.596
_cell_length_b   8.703
_cell_length_c   16.362
_cell_angle_alpha   90.000
_cell_angle_beta   90.000
_cell_angle_gamma   90.000
_symmetry_Int_Tables_number   1
_cell_volume   1224.098
_cell_formula_units_Z   4
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
  La  La0  1  0.884  0.658  0.884  1.0
  La  La1  1  0.384  0.842  0.616  1.0
  La  La2  1  0.616  0.158  0.116  1.0
  La  La3  1  0.116  0.342  0.384  1.0
  La  La4  1  0.116  0.342  0.116  1.0
  La  La5  1  0.616  0.158  0.384  1.0
  La  La6  1  0.384  0.842  0.884  1.0
  La  La7  1  0.884  0.658  0.616  1.0
  La  La8  1  0.034  0.177  0.897  1.0
  La  La9  1  0.534  0.323  0.603  1.0
  La  La10  1  0.466  0.677  0.103  1.0
  La  La11  1  0.966  0.823  0.397  1.0
  La  La12  1  0.966  0.823  0.103  1.0
  La  La13  1  0.466  0.677  0.397  1.0
  La  La14  1  0.534  0.323  0.897  1.0
  La  La15  1  0.034  0.177  0.603  1.0
  La  La16  1  0.714  0.996  0.750  1.0
  La  La17  1  0.214  0.504  0.750  1.0
  La  La18  1  0.786  0.496  0.250  1.0
  La  La19  1  0.286  0.004  0.250  1.0
  Pb  Pb20  1  0.082  0.879  0.750  1.0
  Pb  Pb21  1  0.582  0.621  0.750  1.0
  Pb  Pb22  1  0.418  0.379  0.250  1.0
  Pb  Pb23  1  0.918  0.121  0.250  1.0
  Pb  Pb24  1  0.839  0.357  0.750  1.0
  Pb  Pb25  1  0.339  0.143  0.750  1.0
  Pb  Pb26  1  0.661  0.857  0.250  1.0
  Pb  Pb27  1  0.161  0.643  0.250  1.0
  Pb  Pb28  1  0.774  0.470  0.045  1.0
  Pb  Pb29  1  0.274  0.030  0.455  1.0
  Pb  Pb30  1  0.726  0.970  0.955  1.0
  Pb  Pb31  1  0.226  0.530  0.545  1.0
  Pb  Pb32  1  0.226  0.530  0.955  1.0
  Pb  Pb33  1  0.726  0.970  0.545  1.0
  Pb  Pb34  1  0.274  0.030  0.045  1.0
  Pb  Pb35  1  0.774  0.470  0.455  1.0
[/CIF]
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