The structure described by Nd3CuGeSe7 crystallizes in the hexagonal P6_3 space group. Nd(1) is bonded in a 8-coordinate geometry to one Se(1), three equivalent Se(2), and four equivalent Se(3) atoms. Cu(1) is bonded in a trigonal planar geometry to three equivalent Se(3) atoms. Ge(1) is bonded in a tetrahedral geometry to one Se(1) and three equivalent Se(2) atoms. There are three inequivalent Se sites. In the first Se site, Se(1) is bonded in a tetrahedral geometry to three equivalent Nd(1) and one Ge(1) atom. In the second Se site, Se(2) is bonded in a distorted rectangular see-saw-like geometry to three equivalent Nd(1) and one Ge(1) atom. In the third Se site, Se(3) is bonded in a 5-coordinate geometry to four equivalent Nd(1) and one Cu(1) atom. is represented by the Crystallographic Information File (CIF) [CIF]
data_Nd3CuGeSe7
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   10.643
_cell_length_b   10.643
_cell_length_c   6.160
_cell_angle_alpha   90.000
_cell_angle_beta   90.000
_cell_angle_gamma   120.000
_symmetry_Int_Tables_number   1
_cell_volume   604.346
_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
  Nd  Nd0  1  0.355  0.131  0.249  1.0
  Nd  Nd1  1  0.869  0.225  0.249  1.0
  Nd  Nd2  1  0.775  0.645  0.249  1.0
  Nd  Nd3  1  0.645  0.869  0.749  1.0
  Nd  Nd4  1  0.225  0.355  0.749  1.0
  Nd  Nd5  1  0.131  0.775  0.749  1.0
  Cu  Cu6  1  0.000  0.000  0.716  1.0
  Cu  Cu7  1  0.000  0.000  0.216  1.0
  Ge  Ge8  1  0.667  0.333  0.832  1.0
  Ge  Ge9  1  0.333  0.667  0.332  1.0
  Se  Se10  1  0.667  0.333  0.449  1.0
  Se  Se11  1  0.481  0.579  0.492  1.0
  Se  Se12  1  0.162  0.257  0.229  1.0
  Se  Se13  1  0.905  0.162  0.729  1.0
  Se  Se14  1  0.579  0.098  0.992  1.0
  Se  Se15  1  0.333  0.667  0.949  1.0
  Se  Se16  1  0.257  0.095  0.729  1.0
  Se  Se17  1  0.421  0.902  0.492  1.0
  Se  Se18  1  0.095  0.838  0.229  1.0
  Se  Se19  1  0.519  0.421  0.992  1.0
  Se  Se20  1  0.902  0.481  0.992  1.0
  Se  Se21  1  0.098  0.519  0.492  1.0
  Se  Se22  1  0.743  0.905  0.229  1.0
  Se  Se23  1  0.838  0.743  0.729  1.0
[/CIF]
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The structure described by Nd3CuGeSe7 crystallizes in the hexagonal P6_3 space group. Nd(1) is bonded in a 8-coordinate geometry to one Se(1), three equivalent Se(2), and four equivalent Se(3) atoms. Cu(1) is bonded in a trigonal planar geometry to three equivalent Se(3) atoms. Ge(1) is bonded in a tetrahedral geometry to one Se(1) and three equivalent Se(2) atoms. There are three inequivalent Se sites. In the first Se site, Se(1) is bonded in a tetrahedral geometry to three equivalent Nd(1) and one Ge(1) atom. In the second Se site, Se(2) is bonded in a distorted rectangular see-saw-like geometry to three equivalent Nd(1) and one Ge(1) atom. In the third Se site, Se(3) is bonded in a 5-coordinate geometry to four equivalent Nd(1) and one Cu(1) atom. is represented by the Crystallographic Information File (CIF) [CIF]
data_Nd3CuGeSe7
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   10.643
_cell_length_b   10.643
_cell_length_c   6.160
_cell_angle_alpha   90.000
_cell_angle_beta   90.000
_cell_angle_gamma   120.000
_symmetry_Int_Tables_number   1
_cell_volume   604.346
_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
  Nd  Nd0  1  0.355  0.131  0.249  1.0
  Nd  Nd1  1  0.869  0.225  0.249  1.0
  Nd  Nd2  1  0.775  0.645  0.249  1.0
  Nd  Nd3  1  0.645  0.869  0.749  1.0
  Nd  Nd4  1  0.225  0.355  0.749  1.0
  Nd  Nd5  1  0.131  0.775  0.749  1.0
  Cu  Cu6  1  0.000  0.000  0.716  1.0
  Cu  Cu7  1  0.000  0.000  0.216  1.0
  Ge  Ge8  1  0.667  0.333  0.832  1.0
  Ge  Ge9  1  0.333  0.667  0.332  1.0
  Se  Se10  1  0.667  0.333  0.449  1.0
  Se  Se11  1  0.481  0.579  0.492  1.0
  Se  Se12  1  0.162  0.257  0.229  1.0
  Se  Se13  1  0.905  0.162  0.729  1.0
  Se  Se14  1  0.579  0.098  0.992  1.0
  Se  Se15  1  0.333  0.667  0.949  1.0
  Se  Se16  1  0.257  0.095  0.729  1.0
  Se  Se17  1  0.421  0.902  0.492  1.0
  Se  Se18  1  0.095  0.838  0.229  1.0
  Se  Se19  1  0.519  0.421  0.992  1.0
  Se  Se20  1  0.902  0.481  0.992  1.0
  Se  Se21  1  0.098  0.519  0.492  1.0
  Se  Se22  1  0.743  0.905  0.229  1.0
  Se  Se23  1  0.838  0.743  0.729  1.0
[/CIF]
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