The material structure described by GdOCuSe is Parent of FeAs superconductors structured and crystallizes in the tetragonal P4/nmm space group. Gd(1) is bonded in a 4-coordinate geometry to four equivalent Se(1) and four equivalent O(1) atoms. Cu(1) is bonded to four equivalent Se(1) atoms to form a mixture of distorted corner and edge-sharing CuSe4 tetrahedra. Se(1) is bonded in a 8-coordinate geometry to four equivalent Gd(1) and four equivalent Cu(1) atoms. O(1) is bonded to four equivalent Gd(1) atoms to form a mixture of corner and edge-sharing OGd4 tetrahedra. is represented by the Crystallographic Information File (CIF) [CIF]
data_GdCuSeO
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   3.936
_cell_length_b   3.936
_cell_length_c   8.789
_cell_angle_alpha   90.000
_cell_angle_beta   90.000
_cell_angle_gamma   90.000
_symmetry_Int_Tables_number   1
_cell_volume   136.159
_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  0.000  0.500  0.868  1.0
  Gd  Gd1  1  0.500  0.000  0.132  1.0
  Cu  Cu2  1  0.000  0.000  0.500  1.0
  Cu  Cu3  1  0.500  0.500  0.500  1.0
  Se  Se4  1  0.000  0.500  0.321  1.0
  Se  Se5  1  0.500  0.000  0.679  1.0
  O  O6  1  0.500  0.500  0.000  1.0
  O  O7  1  0.000  0.000  0.000  1.0
[/CIF]
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The material structure described by GdOCuSe is Parent of FeAs superconductors structured and crystallizes in the tetragonal P4/nmm space group. Gd(1) is bonded in a 4-coordinate geometry to four equivalent Se(1) and four equivalent O(1) atoms. Cu(1) is bonded to four equivalent Se(1) atoms to form a mixture of distorted corner and edge-sharing CuSe4 tetrahedra. Se(1) is bonded in a 8-coordinate geometry to four equivalent Gd(1) and four equivalent Cu(1) atoms. O(1) is bonded to four equivalent Gd(1) atoms to form a mixture of corner and edge-sharing OGd4 tetrahedra. is represented by the Crystallographic Information File (CIF) [CIF]
data_GdCuSeO
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   3.936
_cell_length_b   3.936
_cell_length_c   8.789
_cell_angle_alpha   90.000
_cell_angle_beta   90.000
_cell_angle_gamma   90.000
_symmetry_Int_Tables_number   1
_cell_volume   136.159
_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  0.000  0.500  0.868  1.0
  Gd  Gd1  1  0.500  0.000  0.132  1.0
  Cu  Cu2  1  0.000  0.000  0.500  1.0
  Cu  Cu3  1  0.500  0.500  0.500  1.0
  Se  Se4  1  0.000  0.500  0.321  1.0
  Se  Se5  1  0.500  0.000  0.679  1.0
  O  O6  1  0.500  0.500  0.000  1.0
  O  O7  1  0.000  0.000  0.000  1.0
[/CIF]
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