The structure described by Gd3Se4 crystallizes in the cubic I-43d space group. Gd(1) is bonded to eight equivalent Se(1) atoms to form a mixture of distorted face, edge, and corner-sharing GdSe8 hexagonal bipyramids. Se(1) is bonded to six equivalent Gd(1) atoms to form a mixture of distorted face, edge, and corner-sharing SeGd6 octahedra. The corner-sharing octahedral tilt angles range from 18-49°. is represented by the CIF card [CIF]
data_Gd3Se4
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   7.597
_cell_length_b   7.597
_cell_length_c   7.597
_cell_angle_alpha   109.471
_cell_angle_beta   109.471
_cell_angle_gamma   109.471
_symmetry_Int_Tables_number   1
_cell_volume   337.516
_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
  Gd  Gd0  1  0.250  0.125  0.875  1.0
  Gd  Gd1  1  0.125  0.875  0.250  1.0
  Gd  Gd2  1  0.750  0.375  0.625  1.0
  Gd  Gd3  1  0.875  0.250  0.125  1.0
  Gd  Gd4  1  0.625  0.750  0.375  1.0
  Gd  Gd5  1  0.375  0.625  0.750  1.0
  Se  Se6  1  0.143  0.500  0.000  1.0
  Se  Se7  1  0.357  0.357  0.357  1.0
  Se  Se8  1  0.643  0.500  1.000  1.0
  Se  Se9  1  0.500  1.000  0.643  1.0
  Se  Se10  1  0.500  1.000  0.143  1.0
  Se  Se11  1  1.000  0.643  0.500  1.0
  Se  Se12  1  0.857  0.857  0.857  1.0
  Se  Se13  1  1.000  0.143  0.500  1.0
[/CIF]
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The structure described by Gd3Se4 crystallizes in the cubic I-43d space group. Gd(1) is bonded to eight equivalent Se(1) atoms to form a mixture of distorted face, edge, and corner-sharing GdSe8 hexagonal bipyramids. Se(1) is bonded to six equivalent Gd(1) atoms to form a mixture of distorted face, edge, and corner-sharing SeGd6 octahedra. The corner-sharing octahedral tilt angles range from 18-49°. is represented by the CIF card [CIF]
data_Gd3Se4
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   7.597
_cell_length_b   7.597
_cell_length_c   7.597
_cell_angle_alpha   109.471
_cell_angle_beta   109.471
_cell_angle_gamma   109.471
_symmetry_Int_Tables_number   1
_cell_volume   337.516
_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
  Gd  Gd0  1  0.250  0.125  0.875  1.0
  Gd  Gd1  1  0.125  0.875  0.250  1.0
  Gd  Gd2  1  0.750  0.375  0.625  1.0
  Gd  Gd3  1  0.875  0.250  0.125  1.0
  Gd  Gd4  1  0.625  0.750  0.375  1.0
  Gd  Gd5  1  0.375  0.625  0.750  1.0
  Se  Se6  1  0.143  0.500  0.000  1.0
  Se  Se7  1  0.357  0.357  0.357  1.0
  Se  Se8  1  0.643  0.500  1.000  1.0
  Se  Se9  1  0.500  1.000  0.643  1.0
  Se  Se10  1  0.500  1.000  0.143  1.0
  Se  Se11  1  1.000  0.643  0.500  1.0
  Se  Se12  1  0.857  0.857  0.857  1.0
  Se  Se13  1  1.000  0.143  0.500  1.0
[/CIF]
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