The crystal structure described by Pr2PbSe4 crystallizes in the tetragonal I-42d space group. Pr(1) is bonded to eight equivalent Se(1) atoms to form a mixture of distorted face, corner, and edge-sharing PrSe8 hexagonal bipyramids. 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 Pr(1) and two equivalent Pb(1) atoms. is represented by the Crystallographic Information File (CIF) [CIF]
data_Pr2PbSe4
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   7.883
_cell_length_b   7.883
_cell_length_c   7.883
_cell_angle_alpha   109.473
_cell_angle_beta   109.473
_cell_angle_gamma   109.468
_symmetry_Int_Tables_number   1
_cell_volume   377.039
_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
  Pr  Pr0  1  0.743  0.125  0.118  1.0
  Pr  Pr1  1  0.375  0.257  0.382  1.0
  Pr  Pr2  1  0.007  0.625  0.882  1.0
  Pr  Pr3  1  0.875  0.993  0.618  1.0
  Pb  Pb4  1  0.500  0.500  0.000  1.0
  Pb  Pb5  1  0.250  0.750  0.500  1.0
  Se  Se6  1  0.268  0.020  0.902  1.0
  Se  Se7  1  0.770  0.518  0.402  1.0
  Se  Se8  1  0.980  0.882  0.248  1.0
  Se  Se9  1  0.634  0.732  0.752  1.0
  Se  Se10  1  0.116  0.368  0.598  1.0
  Se  Se11  1  0.632  0.230  0.748  1.0
  Se  Se12  1  0.482  0.884  0.252  1.0
  Se  Se13  1  0.118  0.366  0.098  1.0
[/CIF]
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The crystal structure described by Pr2PbSe4 crystallizes in the tetragonal I-42d space group. Pr(1) is bonded to eight equivalent Se(1) atoms to form a mixture of distorted face, corner, and edge-sharing PrSe8 hexagonal bipyramids. 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 Pr(1) and two equivalent Pb(1) atoms. is represented by the Crystallographic Information File (CIF) [CIF]
data_Pr2PbSe4
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   7.883
_cell_length_b   7.883
_cell_length_c   7.883
_cell_angle_alpha   109.473
_cell_angle_beta   109.473
_cell_angle_gamma   109.468
_symmetry_Int_Tables_number   1
_cell_volume   377.039
_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
  Pr  Pr0  1  0.743  0.125  0.118  1.0
  Pr  Pr1  1  0.375  0.257  0.382  1.0
  Pr  Pr2  1  0.007  0.625  0.882  1.0
  Pr  Pr3  1  0.875  0.993  0.618  1.0
  Pb  Pb4  1  0.500  0.500  0.000  1.0
  Pb  Pb5  1  0.250  0.750  0.500  1.0
  Se  Se6  1  0.268  0.020  0.902  1.0
  Se  Se7  1  0.770  0.518  0.402  1.0
  Se  Se8  1  0.980  0.882  0.248  1.0
  Se  Se9  1  0.634  0.732  0.752  1.0
  Se  Se10  1  0.116  0.368  0.598  1.0
  Se  Se11  1  0.632  0.230  0.748  1.0
  Se  Se12  1  0.482  0.884  0.252  1.0
  Se  Se13  1  0.118  0.366  0.098  1.0
[/CIF]
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