The material described by La2PbSe4 crystallizes in the tetragonal I-42d space group. La(1) is bonded in a 8-coordinate geometry to eight equivalent Se(1) atoms. Pb(1) is bonded in a 8-coordinate geometry to eight equivalent Se(1) atoms. Se(1) is bonded in a 6-coordinate geometry to four equivalent La(1) and two equivalent Pb(1) atoms. is represented by the CIF card [CIF]
data_La2PbSe4
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   7.929
_cell_length_b   7.928
_cell_length_c   7.928
_cell_angle_alpha   109.414
_cell_angle_beta   109.417
_cell_angle_gamma   109.583
_symmetry_Int_Tables_number   1
_cell_volume   383.651
_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
  La  La0  1  0.991  0.375  0.115  1.0
  La  La1  1  0.259  0.875  0.885  1.0
  La  La2  1  0.625  0.741  0.616  1.0
  La  La3  1  0.125  0.010  0.384  1.0
  Pb  Pb4  1  0.750  0.250  0.500  1.0
  Pb  Pb5  1  0.500  0.500  1.000  1.0
  Se  Se6  1  0.516  0.117  0.748  1.0
  Se  Se7  1  0.368  0.266  0.249  1.0
  Se  Se8  1  0.232  0.484  0.601  1.0
  Se  Se9  1  0.881  0.632  0.899  1.0
  Se  Se10  1  0.369  0.768  0.252  1.0
  Se  Se11  1  0.883  0.631  0.399  1.0
  Se  Se12  1  0.734  0.982  0.101  1.0
  Se  Se13  1  0.018  0.119  0.751  1.0
[/CIF]
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The material described by La2PbSe4 crystallizes in the tetragonal I-42d space group. La(1) is bonded in a 8-coordinate geometry to eight equivalent Se(1) atoms. Pb(1) is bonded in a 8-coordinate geometry to eight equivalent Se(1) atoms. Se(1) is bonded in a 6-coordinate geometry to four equivalent La(1) and two equivalent Pb(1) atoms. is represented by the CIF card [CIF]
data_La2PbSe4
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   7.929
_cell_length_b   7.928
_cell_length_c   7.928
_cell_angle_alpha   109.414
_cell_angle_beta   109.417
_cell_angle_gamma   109.583
_symmetry_Int_Tables_number   1
_cell_volume   383.651
_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
  La  La0  1  0.991  0.375  0.115  1.0
  La  La1  1  0.259  0.875  0.885  1.0
  La  La2  1  0.625  0.741  0.616  1.0
  La  La3  1  0.125  0.010  0.384  1.0
  Pb  Pb4  1  0.750  0.250  0.500  1.0
  Pb  Pb5  1  0.500  0.500  1.000  1.0
  Se  Se6  1  0.516  0.117  0.748  1.0
  Se  Se7  1  0.368  0.266  0.249  1.0
  Se  Se8  1  0.232  0.484  0.601  1.0
  Se  Se9  1  0.881  0.632  0.899  1.0
  Se  Se10  1  0.369  0.768  0.252  1.0
  Se  Se11  1  0.883  0.631  0.399  1.0
  Se  Se12  1  0.734  0.982  0.101  1.0
  Se  Se13  1  0.018  0.119  0.751  1.0
[/CIF]
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