The material described by Ce2PbSe4 crystallizes in the tetragonal I-42d space group. Ce(1) is bonded to eight equivalent Se(1) atoms to form a mixture of distorted face, corner, and edge-sharing CeSe8 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 Ce(1) and two equivalent Pb(1) atoms. is represented by the CIF file [CIF]
data_Ce2PbSe4
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   7.866
_cell_length_b   7.866
_cell_length_c   7.866
_cell_angle_alpha   109.328
_cell_angle_beta   109.328
_cell_angle_gamma   109.758
_symmetry_Int_Tables_number   1
_cell_volume   374.590
_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
  Ce  Ce0  1  0.625  0.007  0.882  1.0
  Ce  Ce1  1  0.993  0.875  0.618  1.0
  Ce  Ce2  1  0.125  0.743  0.118  1.0
  Ce  Ce3  1  0.257  0.375  0.382  1.0
  Pb  Pb4  1  0.500  0.500  0.000  1.0
  Pb  Pb5  1  0.750  0.250  0.500  1.0
  Se  Se6  1  0.363  0.116  0.096  1.0
  Se  Se7  1  0.366  0.113  0.596  1.0
  Se  Se8  1  0.887  0.483  0.253  1.0
  Se  Se9  1  0.517  0.770  0.404  1.0
  Se  Se10  1  0.733  0.637  0.753  1.0
  Se  Se11  1  0.020  0.267  0.904  1.0
  Se  Se12  1  0.884  0.980  0.247  1.0
  Se  Se13  1  0.230  0.634  0.747  1.0
[/CIF]
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The material described by Ce2PbSe4 crystallizes in the tetragonal I-42d space group. Ce(1) is bonded to eight equivalent Se(1) atoms to form a mixture of distorted face, corner, and edge-sharing CeSe8 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 Ce(1) and two equivalent Pb(1) atoms. is represented by the CIF file [CIF]
data_Ce2PbSe4
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   7.866
_cell_length_b   7.866
_cell_length_c   7.866
_cell_angle_alpha   109.328
_cell_angle_beta   109.328
_cell_angle_gamma   109.758
_symmetry_Int_Tables_number   1
_cell_volume   374.590
_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
  Ce  Ce0  1  0.625  0.007  0.882  1.0
  Ce  Ce1  1  0.993  0.875  0.618  1.0
  Ce  Ce2  1  0.125  0.743  0.118  1.0
  Ce  Ce3  1  0.257  0.375  0.382  1.0
  Pb  Pb4  1  0.500  0.500  0.000  1.0
  Pb  Pb5  1  0.750  0.250  0.500  1.0
  Se  Se6  1  0.363  0.116  0.096  1.0
  Se  Se7  1  0.366  0.113  0.596  1.0
  Se  Se8  1  0.887  0.483  0.253  1.0
  Se  Se9  1  0.517  0.770  0.404  1.0
  Se  Se10  1  0.733  0.637  0.753  1.0
  Se  Se11  1  0.020  0.267  0.904  1.0
  Se  Se12  1  0.884  0.980  0.247  1.0
  Se  Se13  1  0.230  0.634  0.747  1.0
[/CIF]
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