The material structure described by La3AgSnSe7 crystallizes in the hexagonal P6_3 space group. La(1) is bonded in a 9-coordinate geometry to one Ag(1), one Se(1), three equivalent Se(3), and four equivalent Se(2) atoms. Ag(1) is bonded in a trigonal planar geometry to three equivalent La(1) and three equivalent Se(2) atoms. Sn(1) is bonded in a tetrahedral geometry to one Se(1) and three equivalent Se(3) atoms. There are three inequivalent Se sites. In the first Se site, Se(1) is bonded in a tetrahedral geometry to three equivalent La(1) and one Sn(1) atom. In the second Se site, Se(2) is bonded in a 5-coordinate geometry to four equivalent La(1) and one Ag(1) atom. In the third Se site, Se(3) is bonded in a distorted rectangular see-saw-like geometry to three equivalent La(1) and one Sn(1) atom. is represented by the CIF file [CIF]
data_La3AgSnSe7
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   10.924
_cell_length_b   10.924
_cell_length_c   6.330
_cell_angle_alpha   90.000
_cell_angle_beta   90.000
_cell_angle_gamma   120.000
_symmetry_Int_Tables_number   1
_cell_volume   654.195
_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
  La  La0  1  0.867  0.223  0.617  1.0
  La  La1  1  0.643  0.867  0.117  1.0
  La  La2  1  0.223  0.357  0.117  1.0
  La  La3  1  0.777  0.643  0.617  1.0
  La  La4  1  0.357  0.133  0.617  1.0
  La  La5  1  0.133  0.777  0.117  1.0
  Ag  Ag6  1  0.000  0.000  0.554  1.0
  Ag  Ag7  1  0.000  0.000  0.054  1.0
  Sn  Sn8  1  0.667  0.333  0.199  1.0
  Sn  Sn9  1  0.333  0.667  0.699  1.0
  Se  Se10  1  0.667  0.333  0.801  1.0
  Se  Se11  1  0.333  0.667  0.301  1.0
  Se  Se12  1  0.166  0.270  0.593  1.0
  Se  Se13  1  0.897  0.166  0.093  1.0
  Se  Se14  1  0.270  0.103  0.093  1.0
  Se  Se15  1  0.730  0.897  0.593  1.0
  Se  Se16  1  0.103  0.834  0.593  1.0
  Se  Se17  1  0.834  0.730  0.093  1.0
  Se  Se18  1  0.575  0.089  0.371  1.0
  Se  Se19  1  0.486  0.575  0.871  1.0
  Se  Se20  1  0.425  0.911  0.871  1.0
  Se  Se21  1  0.514  0.425  0.371  1.0
  Se  Se22  1  0.911  0.486  0.371  1.0
  Se  Se23  1  0.089  0.514  0.871  1.0
[/CIF]
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The material structure described by La3AgSnSe7 crystallizes in the hexagonal P6_3 space group. La(1) is bonded in a 9-coordinate geometry to one Ag(1), one Se(1), three equivalent Se(3), and four equivalent Se(2) atoms. Ag(1) is bonded in a trigonal planar geometry to three equivalent La(1) and three equivalent Se(2) atoms. Sn(1) is bonded in a tetrahedral geometry to one Se(1) and three equivalent Se(3) atoms. There are three inequivalent Se sites. In the first Se site, Se(1) is bonded in a tetrahedral geometry to three equivalent La(1) and one Sn(1) atom. In the second Se site, Se(2) is bonded in a 5-coordinate geometry to four equivalent La(1) and one Ag(1) atom. In the third Se site, Se(3) is bonded in a distorted rectangular see-saw-like geometry to three equivalent La(1) and one Sn(1) atom. is represented by the CIF file [CIF]
data_La3AgSnSe7
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   10.924
_cell_length_b   10.924
_cell_length_c   6.330
_cell_angle_alpha   90.000
_cell_angle_beta   90.000
_cell_angle_gamma   120.000
_symmetry_Int_Tables_number   1
_cell_volume   654.195
_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
  La  La0  1  0.867  0.223  0.617  1.0
  La  La1  1  0.643  0.867  0.117  1.0
  La  La2  1  0.223  0.357  0.117  1.0
  La  La3  1  0.777  0.643  0.617  1.0
  La  La4  1  0.357  0.133  0.617  1.0
  La  La5  1  0.133  0.777  0.117  1.0
  Ag  Ag6  1  0.000  0.000  0.554  1.0
  Ag  Ag7  1  0.000  0.000  0.054  1.0
  Sn  Sn8  1  0.667  0.333  0.199  1.0
  Sn  Sn9  1  0.333  0.667  0.699  1.0
  Se  Se10  1  0.667  0.333  0.801  1.0
  Se  Se11  1  0.333  0.667  0.301  1.0
  Se  Se12  1  0.166  0.270  0.593  1.0
  Se  Se13  1  0.897  0.166  0.093  1.0
  Se  Se14  1  0.270  0.103  0.093  1.0
  Se  Se15  1  0.730  0.897  0.593  1.0
  Se  Se16  1  0.103  0.834  0.593  1.0
  Se  Se17  1  0.834  0.730  0.093  1.0
  Se  Se18  1  0.575  0.089  0.371  1.0
  Se  Se19  1  0.486  0.575  0.871  1.0
  Se  Se20  1  0.425  0.911  0.871  1.0
  Se  Se21  1  0.514  0.425  0.371  1.0
  Se  Se22  1  0.911  0.486  0.371  1.0
  Se  Se23  1  0.089  0.514  0.871  1.0
[/CIF]
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