The compound described by Nd3AgSiSe7 crystallizes in the hexagonal P6_3 space group. Nd(1) is bonded in a 8-coordinate geometry to one Se(3), three equivalent Se(1), and four equivalent Se(2) atoms. Ag(1) is bonded in a trigonal planar geometry to three equivalent Se(2) atoms. Si(1) is bonded in a tetrahedral geometry to one Se(3) 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 Si(1) atom. In the second Se site, Se(2) is bonded in a 5-coordinate geometry to four equivalent Nd(1) and one Ag(1) atom. In the third Se site, Se(3) is bonded in a distorted tetrahedral geometry to three equivalent Nd(1) and one Si(1) atom. is represented by the CIF card [CIF]
data_Nd3SiAgSe7
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   10.766
_cell_length_b   10.766
_cell_length_c   6.076
_cell_angle_alpha   90.000
_cell_angle_beta   90.000
_cell_angle_gamma   120.000
_symmetry_Int_Tables_number   1
_cell_volume   609.900
_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  0.357  0.126  0.467  1.0
  Nd  Nd1  1  0.231  0.357  0.967  1.0
  Nd  Nd2  1  0.126  0.769  0.967  1.0
  Nd  Nd3  1  0.874  0.231  0.467  1.0
  Nd  Nd4  1  0.769  0.643  0.467  1.0
  Nd  Nd5  1  0.643  0.874  0.967  1.0
  Si  Si6  1  0.333  0.667  0.377  1.0
  Si  Si7  1  0.667  0.333  0.877  1.0
  Ag  Ag8  1  0.000  0.000  0.517  1.0
  Ag  Ag9  1  0.000  0.000  0.017  1.0
  Se  Se10  1  0.891  0.478  0.725  1.0
  Se  Se11  1  0.109  0.522  0.225  1.0
  Se  Se12  1  0.478  0.587  0.225  1.0
  Se  Se13  1  0.587  0.109  0.725  1.0
  Se  Se14  1  0.096  0.825  0.484  1.0
  Se  Se15  1  0.271  0.096  0.984  1.0
  Se  Se16  1  0.413  0.891  0.225  1.0
  Se  Se17  1  0.522  0.413  0.725  1.0
  Se  Se18  1  0.333  0.667  0.751  1.0
  Se  Se19  1  0.667  0.333  0.251  1.0
  Se  Se20  1  0.904  0.175  0.984  1.0
  Se  Se21  1  0.729  0.904  0.484  1.0
  Se  Se22  1  0.175  0.271  0.484  1.0
  Se  Se23  1  0.825  0.729  0.984  1.0
[/CIF]
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The compound described by Nd3AgSiSe7 crystallizes in the hexagonal P6_3 space group. Nd(1) is bonded in a 8-coordinate geometry to one Se(3), three equivalent Se(1), and four equivalent Se(2) atoms. Ag(1) is bonded in a trigonal planar geometry to three equivalent Se(2) atoms. Si(1) is bonded in a tetrahedral geometry to one Se(3) 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 Si(1) atom. In the second Se site, Se(2) is bonded in a 5-coordinate geometry to four equivalent Nd(1) and one Ag(1) atom. In the third Se site, Se(3) is bonded in a distorted tetrahedral geometry to three equivalent Nd(1) and one Si(1) atom. is represented by the CIF card [CIF]
data_Nd3SiAgSe7
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   10.766
_cell_length_b   10.766
_cell_length_c   6.076
_cell_angle_alpha   90.000
_cell_angle_beta   90.000
_cell_angle_gamma   120.000
_symmetry_Int_Tables_number   1
_cell_volume   609.900
_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  0.357  0.126  0.467  1.0
  Nd  Nd1  1  0.231  0.357  0.967  1.0
  Nd  Nd2  1  0.126  0.769  0.967  1.0
  Nd  Nd3  1  0.874  0.231  0.467  1.0
  Nd  Nd4  1  0.769  0.643  0.467  1.0
  Nd  Nd5  1  0.643  0.874  0.967  1.0
  Si  Si6  1  0.333  0.667  0.377  1.0
  Si  Si7  1  0.667  0.333  0.877  1.0
  Ag  Ag8  1  0.000  0.000  0.517  1.0
  Ag  Ag9  1  0.000  0.000  0.017  1.0
  Se  Se10  1  0.891  0.478  0.725  1.0
  Se  Se11  1  0.109  0.522  0.225  1.0
  Se  Se12  1  0.478  0.587  0.225  1.0
  Se  Se13  1  0.587  0.109  0.725  1.0
  Se  Se14  1  0.096  0.825  0.484  1.0
  Se  Se15  1  0.271  0.096  0.984  1.0
  Se  Se16  1  0.413  0.891  0.225  1.0
  Se  Se17  1  0.522  0.413  0.725  1.0
  Se  Se18  1  0.333  0.667  0.751  1.0
  Se  Se19  1  0.667  0.333  0.251  1.0
  Se  Se20  1  0.904  0.175  0.984  1.0
  Se  Se21  1  0.729  0.904  0.484  1.0
  Se  Se22  1  0.175  0.271  0.484  1.0
  Se  Se23  1  0.825  0.729  0.984  1.0
[/CIF]
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