The material structure described by UGd2Se5 crystallizes in the orthorhombic Pnma space group. U(1) is bonded in a 7-coordinate geometry to one Se(2), one Se(3), one Se(4), and four equivalent Se(1) atoms. Gd(1) is bonded in a 8-coordinate geometry to two equivalent Se(1), two equivalent Se(2), two equivalent Se(3), and two equivalent Se(4) atoms. There are four inequivalent Se sites. In the first Se site, Se(1) is bonded in a rectangular see-saw-like geometry to two equivalent U(1) and two equivalent Gd(1) atoms. In the second Se site, Se(2) is bonded to one U(1) and four equivalent Gd(1) atoms to form a mixture of distorted corner and edge-sharing SeGd4U trigonal bipyramids. In the third Se site, Se(3) is bonded to one U(1) and four equivalent Gd(1) atoms to form a mixture of corner, edge, and face-sharing SeGd4U square pyramids. In the fourth Se site, Se(4) is bonded to one U(1) and four equivalent Gd(1) atoms to form a mixture of distorted corner, edge, and face-sharing SeGd4U square pyramids. is represented by the CIF card [CIF]
data_Gd2USe5
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   7.678
_cell_length_b   8.266
_cell_length_c   12.060
_cell_angle_alpha   90.000
_cell_angle_beta   90.000
_cell_angle_gamma   90.000
_symmetry_Int_Tables_number   1
_cell_volume   765.375
_cell_formula_units_Z   4
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  0.530  0.499  0.322  1.0
  Gd  Gd1  1  0.970  0.001  0.822  1.0
  Gd  Gd2  1  0.470  0.999  0.678  1.0
  Gd  Gd3  1  0.030  0.501  0.178  1.0
  Gd  Gd4  1  0.470  0.501  0.678  1.0
  Gd  Gd5  1  0.030  0.999  0.178  1.0
  Gd  Gd6  1  0.530  0.001  0.322  1.0
  Gd  Gd7  1  0.970  0.499  0.822  1.0
  U  U8  1  0.077  0.750  0.489  1.0
  U  U9  1  0.423  0.750  0.989  1.0
  U  U10  1  0.923  0.250  0.511  1.0
  U  U11  1  0.577  0.250  0.011  1.0
  Se  Se12  1  0.828  0.952  0.594  1.0
  Se  Se13  1  0.672  0.548  0.094  1.0
  Se  Se14  1  0.172  0.452  0.406  1.0
  Se  Se15  1  0.328  0.048  0.906  1.0
  Se  Se16  1  0.172  0.048  0.406  1.0
  Se  Se17  1  0.328  0.452  0.906  1.0
  Se  Se18  1  0.828  0.548  0.594  1.0
  Se  Se19  1  0.672  0.952  0.094  1.0
  Se  Se20  1  0.829  0.750  0.313  1.0
  Se  Se21  1  0.671  0.750  0.813  1.0
  Se  Se22  1  0.171  0.250  0.687  1.0
  Se  Se23  1  0.329  0.250  0.187  1.0
  Se  Se24  1  0.463  0.750  0.500  1.0
  Se  Se25  1  0.037  0.750  0.000  1.0
  Se  Se26  1  0.537  0.250  0.500  1.0
  Se  Se27  1  0.963  0.250  1.000  1.0
  Se  Se28  1  0.194  0.750  0.720  1.0
  Se  Se29  1  0.306  0.750  0.220  1.0
  Se  Se30  1  0.806  0.250  0.280  1.0
  Se  Se31  1  0.694  0.250  0.780  1.0
[/CIF]
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The material structure described by UGd2Se5 crystallizes in the orthorhombic Pnma space group. U(1) is bonded in a 7-coordinate geometry to one Se(2), one Se(3), one Se(4), and four equivalent Se(1) atoms. Gd(1) is bonded in a 8-coordinate geometry to two equivalent Se(1), two equivalent Se(2), two equivalent Se(3), and two equivalent Se(4) atoms. There are four inequivalent Se sites. In the first Se site, Se(1) is bonded in a rectangular see-saw-like geometry to two equivalent U(1) and two equivalent Gd(1) atoms. In the second Se site, Se(2) is bonded to one U(1) and four equivalent Gd(1) atoms to form a mixture of distorted corner and edge-sharing SeGd4U trigonal bipyramids. In the third Se site, Se(3) is bonded to one U(1) and four equivalent Gd(1) atoms to form a mixture of corner, edge, and face-sharing SeGd4U square pyramids. In the fourth Se site, Se(4) is bonded to one U(1) and four equivalent Gd(1) atoms to form a mixture of distorted corner, edge, and face-sharing SeGd4U square pyramids. is represented by the CIF card [CIF]
data_Gd2USe5
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   7.678
_cell_length_b   8.266
_cell_length_c   12.060
_cell_angle_alpha   90.000
_cell_angle_beta   90.000
_cell_angle_gamma   90.000
_symmetry_Int_Tables_number   1
_cell_volume   765.375
_cell_formula_units_Z   4
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  0.530  0.499  0.322  1.0
  Gd  Gd1  1  0.970  0.001  0.822  1.0
  Gd  Gd2  1  0.470  0.999  0.678  1.0
  Gd  Gd3  1  0.030  0.501  0.178  1.0
  Gd  Gd4  1  0.470  0.501  0.678  1.0
  Gd  Gd5  1  0.030  0.999  0.178  1.0
  Gd  Gd6  1  0.530  0.001  0.322  1.0
  Gd  Gd7  1  0.970  0.499  0.822  1.0
  U  U8  1  0.077  0.750  0.489  1.0
  U  U9  1  0.423  0.750  0.989  1.0
  U  U10  1  0.923  0.250  0.511  1.0
  U  U11  1  0.577  0.250  0.011  1.0
  Se  Se12  1  0.828  0.952  0.594  1.0
  Se  Se13  1  0.672  0.548  0.094  1.0
  Se  Se14  1  0.172  0.452  0.406  1.0
  Se  Se15  1  0.328  0.048  0.906  1.0
  Se  Se16  1  0.172  0.048  0.406  1.0
  Se  Se17  1  0.328  0.452  0.906  1.0
  Se  Se18  1  0.828  0.548  0.594  1.0
  Se  Se19  1  0.672  0.952  0.094  1.0
  Se  Se20  1  0.829  0.750  0.313  1.0
  Se  Se21  1  0.671  0.750  0.813  1.0
  Se  Se22  1  0.171  0.250  0.687  1.0
  Se  Se23  1  0.329  0.250  0.187  1.0
  Se  Se24  1  0.463  0.750  0.500  1.0
  Se  Se25  1  0.037  0.750  0.000  1.0
  Se  Se26  1  0.537  0.250  0.500  1.0
  Se  Se27  1  0.963  0.250  1.000  1.0
  Se  Se28  1  0.194  0.750  0.720  1.0
  Se  Se29  1  0.306  0.750  0.220  1.0
  Se  Se30  1  0.806  0.250  0.280  1.0
  Se  Se31  1  0.694  0.250  0.780  1.0
[/CIF]
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