The compound described by Gd3CuGeSe7 crystallizes in the hexagonal P6_3 space group. Gd(1) is bonded in a 9-coordinate geometry to one Cu(1), one Se(3), three equivalent Se(2), and four equivalent Se(1) atoms. Cu(1) is bonded in a trigonal planar geometry to three equivalent Gd(1) and three equivalent Se(1) atoms. Ge(1) is bonded in a tetrahedral geometry to one Se(3) and three equivalent Se(2) atoms. There are three inequivalent Se sites. In the first Se site, Se(1) is bonded in a 5-coordinate geometry to four equivalent Gd(1) and one Cu(1) atom. In the second Se site, Se(2) is bonded in a distorted rectangular see-saw-like geometry to three equivalent Gd(1) and one Ge(1) atom. In the third Se site, Se(3) is bonded in a tetrahedral geometry to three equivalent Gd(1) and one Ge(1) atom. is represented by the CIF card [CIF]
data_Gd3CuGeSe7
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   10.454
_cell_length_b   10.454
_cell_length_c   6.102
_cell_angle_alpha   90.000
_cell_angle_beta   90.000
_cell_angle_gamma   120.000
_symmetry_Int_Tables_number   1
_cell_volume   577.473
_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  0.223  0.867  0.750  1.0
  Gd  Gd1  1  0.355  0.223  0.250  1.0
  Gd  Gd2  1  0.867  0.645  0.250  1.0
  Gd  Gd3  1  0.645  0.777  0.750  1.0
  Gd  Gd4  1  0.133  0.355  0.750  1.0
  Gd  Gd5  1  0.777  0.133  0.250  1.0
  Cu  Cu6  1  0.000  0.000  0.713  1.0
  Cu  Cu7  1  0.000  0.000  0.213  1.0
  Ge  Ge8  1  0.333  0.667  0.332  1.0
  Ge  Ge9  1  0.667  0.333  0.832  1.0
  Se  Se10  1  0.260  0.161  0.726  1.0
  Se  Se11  1  0.518  0.094  0.996  1.0
  Se  Se12  1  0.667  0.333  0.445  1.0
  Se  Se13  1  0.906  0.424  0.996  1.0
  Se  Se14  1  0.424  0.518  0.496  1.0
  Se  Se15  1  0.099  0.260  0.226  1.0
  Se  Se16  1  0.333  0.667  0.945  1.0
  Se  Se17  1  0.901  0.740  0.726  1.0
  Se  Se18  1  0.740  0.839  0.226  1.0
  Se  Se19  1  0.482  0.906  0.496  1.0
  Se  Se20  1  0.094  0.576  0.496  1.0
  Se  Se21  1  0.576  0.482  0.996  1.0
  Se  Se22  1  0.161  0.901  0.226  1.0
  Se  Se23  1  0.839  0.099  0.726  1.0
[/CIF]
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The compound described by Gd3CuGeSe7 crystallizes in the hexagonal P6_3 space group. Gd(1) is bonded in a 9-coordinate geometry to one Cu(1), one Se(3), three equivalent Se(2), and four equivalent Se(1) atoms. Cu(1) is bonded in a trigonal planar geometry to three equivalent Gd(1) and three equivalent Se(1) atoms. Ge(1) is bonded in a tetrahedral geometry to one Se(3) and three equivalent Se(2) atoms. There are three inequivalent Se sites. In the first Se site, Se(1) is bonded in a 5-coordinate geometry to four equivalent Gd(1) and one Cu(1) atom. In the second Se site, Se(2) is bonded in a distorted rectangular see-saw-like geometry to three equivalent Gd(1) and one Ge(1) atom. In the third Se site, Se(3) is bonded in a tetrahedral geometry to three equivalent Gd(1) and one Ge(1) atom. is represented by the CIF card [CIF]
data_Gd3CuGeSe7
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   10.454
_cell_length_b   10.454
_cell_length_c   6.102
_cell_angle_alpha   90.000
_cell_angle_beta   90.000
_cell_angle_gamma   120.000
_symmetry_Int_Tables_number   1
_cell_volume   577.473
_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  0.223  0.867  0.750  1.0
  Gd  Gd1  1  0.355  0.223  0.250  1.0
  Gd  Gd2  1  0.867  0.645  0.250  1.0
  Gd  Gd3  1  0.645  0.777  0.750  1.0
  Gd  Gd4  1  0.133  0.355  0.750  1.0
  Gd  Gd5  1  0.777  0.133  0.250  1.0
  Cu  Cu6  1  0.000  0.000  0.713  1.0
  Cu  Cu7  1  0.000  0.000  0.213  1.0
  Ge  Ge8  1  0.333  0.667  0.332  1.0
  Ge  Ge9  1  0.667  0.333  0.832  1.0
  Se  Se10  1  0.260  0.161  0.726  1.0
  Se  Se11  1  0.518  0.094  0.996  1.0
  Se  Se12  1  0.667  0.333  0.445  1.0
  Se  Se13  1  0.906  0.424  0.996  1.0
  Se  Se14  1  0.424  0.518  0.496  1.0
  Se  Se15  1  0.099  0.260  0.226  1.0
  Se  Se16  1  0.333  0.667  0.945  1.0
  Se  Se17  1  0.901  0.740  0.726  1.0
  Se  Se18  1  0.740  0.839  0.226  1.0
  Se  Se19  1  0.482  0.906  0.496  1.0
  Se  Se20  1  0.094  0.576  0.496  1.0
  Se  Se21  1  0.576  0.482  0.996  1.0
  Se  Se22  1  0.161  0.901  0.226  1.0
  Se  Se23  1  0.839  0.099  0.726  1.0
[/CIF]
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