The material structure described by Nd3CuSnSe7 crystallizes in the hexagonal P6_3 space group. Nd(1) is bonded in a 9-coordinate geometry to one Cu(1), one Se(2), three equivalent Se(1), and four equivalent Se(3) atoms. Cu(1) is bonded in a trigonal planar geometry to three equivalent Nd(1) and three equivalent Se(3) atoms. Sn(1) is bonded in a tetrahedral geometry to one Se(2) and three equivalent Se(1) atoms. There are three inequivalent Se sites. In the first Se site, Se(1) is bonded in a distorted rectangular see-saw-like geometry to three equivalent Nd(1) and one Sn(1) atom. In the second Se site, Se(2) is bonded in a tetrahedral geometry to three equivalent Nd(1) and one Sn(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_Nd3CuSnSe7
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   10.595
_cell_length_b   10.595
_cell_length_c   6.346
_cell_angle_alpha   90.000
_cell_angle_beta   90.000
_cell_angle_gamma   120.000
_symmetry_Int_Tables_number   1
_cell_volume   616.978
_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  0.644  0.862  0.958  1.0
  Nd  Nd1  1  0.782  0.644  0.458  1.0
  Nd  Nd2  1  0.862  0.218  0.458  1.0
  Nd  Nd3  1  0.138  0.782  0.958  1.0
  Nd  Nd4  1  0.218  0.356  0.958  1.0
  Nd  Nd5  1  0.356  0.138  0.458  1.0
  Cu  Cu6  1  0.000  0.000  0.508  1.0
  Cu  Cu7  1  0.000  0.000  0.008  1.0
  Sn  Sn8  1  0.667  0.333  0.881  1.0
  Sn  Sn9  1  0.333  0.667  0.381  1.0
  Se  Se10  1  0.485  0.570  0.210  1.0
  Se  Se11  1  0.915  0.485  0.710  1.0
  Se  Se12  1  0.570  0.085  0.710  1.0
  Se  Se13  1  0.430  0.915  0.210  1.0
  Se  Se14  1  0.333  0.667  0.774  1.0
  Se  Se15  1  0.667  0.333  0.274  1.0
  Se  Se16  1  0.085  0.515  0.210  1.0
  Se  Se17  1  0.515  0.430  0.710  1.0
  Se  Se18  1  0.256  0.102  0.996  1.0
  Se  Se19  1  0.154  0.256  0.496  1.0
  Se  Se20  1  0.102  0.846  0.496  1.0
  Se  Se21  1  0.898  0.154  0.996  1.0
  Se  Se22  1  0.846  0.744  0.996  1.0
  Se  Se23  1  0.744  0.898  0.496  1.0
[/CIF]
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The material structure described by Nd3CuSnSe7 crystallizes in the hexagonal P6_3 space group. Nd(1) is bonded in a 9-coordinate geometry to one Cu(1), one Se(2), three equivalent Se(1), and four equivalent Se(3) atoms. Cu(1) is bonded in a trigonal planar geometry to three equivalent Nd(1) and three equivalent Se(3) atoms. Sn(1) is bonded in a tetrahedral geometry to one Se(2) and three equivalent Se(1) atoms. There are three inequivalent Se sites. In the first Se site, Se(1) is bonded in a distorted rectangular see-saw-like geometry to three equivalent Nd(1) and one Sn(1) atom. In the second Se site, Se(2) is bonded in a tetrahedral geometry to three equivalent Nd(1) and one Sn(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_Nd3CuSnSe7
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   10.595
_cell_length_b   10.595
_cell_length_c   6.346
_cell_angle_alpha   90.000
_cell_angle_beta   90.000
_cell_angle_gamma   120.000
_symmetry_Int_Tables_number   1
_cell_volume   616.978
_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  0.644  0.862  0.958  1.0
  Nd  Nd1  1  0.782  0.644  0.458  1.0
  Nd  Nd2  1  0.862  0.218  0.458  1.0
  Nd  Nd3  1  0.138  0.782  0.958  1.0
  Nd  Nd4  1  0.218  0.356  0.958  1.0
  Nd  Nd5  1  0.356  0.138  0.458  1.0
  Cu  Cu6  1  0.000  0.000  0.508  1.0
  Cu  Cu7  1  0.000  0.000  0.008  1.0
  Sn  Sn8  1  0.667  0.333  0.881  1.0
  Sn  Sn9  1  0.333  0.667  0.381  1.0
  Se  Se10  1  0.485  0.570  0.210  1.0
  Se  Se11  1  0.915  0.485  0.710  1.0
  Se  Se12  1  0.570  0.085  0.710  1.0
  Se  Se13  1  0.430  0.915  0.210  1.0
  Se  Se14  1  0.333  0.667  0.774  1.0
  Se  Se15  1  0.667  0.333  0.274  1.0
  Se  Se16  1  0.085  0.515  0.210  1.0
  Se  Se17  1  0.515  0.430  0.710  1.0
  Se  Se18  1  0.256  0.102  0.996  1.0
  Se  Se19  1  0.154  0.256  0.496  1.0
  Se  Se20  1  0.102  0.846  0.496  1.0
  Se  Se21  1  0.898  0.154  0.996  1.0
  Se  Se22  1  0.846  0.744  0.996  1.0
  Se  Se23  1  0.744  0.898  0.496  1.0
[/CIF]
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