The material structure described by Y3CuSnSe7 crystallizes in the hexagonal P6_3 space group. Y(1) is bonded in a 6-coordinate geometry to one Se(3), three equivalent Se(1), and three equivalent Se(2) atoms. Cu(1) is bonded in a trigonal planar geometry to three equivalent Se(1) atoms. Sn(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 4-coordinate geometry to three equivalent Y(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 Y(1) and one Sn(1) atom. In the third Se site, Se(3) is bonded in a tetrahedral geometry to three equivalent Y(1) and one Sn(1) atom. is represented by the Crystallographic Information File (CIF) [CIF]
data_Y3CuSnSe7
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   6.536
_cell_length_b   10.257
_cell_length_c   10.257
_cell_angle_alpha   120.000
_cell_angle_beta   90.000
_cell_angle_gamma   90.000
_symmetry_Int_Tables_number   1
_cell_volume   595.472
_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
  Y  Y0  1  0.894  0.846  0.203  1.0
  Y  Y1  1  0.894  0.357  0.154  1.0
  Y  Y2  1  0.394  0.154  0.797  1.0
  Y  Y3  1  0.894  0.797  0.643  1.0
  Y  Y4  1  0.394  0.643  0.846  1.0
  Y  Y5  1  0.394  0.203  0.357  1.0
  Cu  Cu6  1  0.998  0.000  0.000  1.0
  Cu  Cu7  1  0.498  0.000  0.000  1.0
  Sn  Sn8  1  0.325  0.667  0.333  1.0
  Sn  Sn9  1  0.825  0.333  0.667  1.0
  Se  Se10  1  0.969  0.735  0.882  1.0
  Se  Se11  1  0.969  0.147  0.265  1.0
  Se  Se12  1  0.469  0.265  0.118  1.0
  Se  Se13  1  0.969  0.118  0.853  1.0
  Se  Se14  1  0.469  0.853  0.735  1.0
  Se  Se15  1  0.469  0.882  0.147  1.0
  Se  Se16  1  0.643  0.478  0.556  1.0
  Se  Se17  1  0.643  0.078  0.522  1.0
  Se  Se18  1  0.143  0.522  0.444  1.0
  Se  Se19  1  0.643  0.444  0.922  1.0
  Se  Se20  1  0.143  0.922  0.478  1.0
  Se  Se21  1  0.143  0.556  0.078  1.0
  Se  Se22  1  0.717  0.667  0.333  1.0
  Se  Se23  1  0.217  0.333  0.667  1.0
[/CIF]
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The material structure described by Y3CuSnSe7 crystallizes in the hexagonal P6_3 space group. Y(1) is bonded in a 6-coordinate geometry to one Se(3), three equivalent Se(1), and three equivalent Se(2) atoms. Cu(1) is bonded in a trigonal planar geometry to three equivalent Se(1) atoms. Sn(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 4-coordinate geometry to three equivalent Y(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 Y(1) and one Sn(1) atom. In the third Se site, Se(3) is bonded in a tetrahedral geometry to three equivalent Y(1) and one Sn(1) atom. is represented by the Crystallographic Information File (CIF) [CIF]
data_Y3CuSnSe7
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   6.536
_cell_length_b   10.257
_cell_length_c   10.257
_cell_angle_alpha   120.000
_cell_angle_beta   90.000
_cell_angle_gamma   90.000
_symmetry_Int_Tables_number   1
_cell_volume   595.472
_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
  Y  Y0  1  0.894  0.846  0.203  1.0
  Y  Y1  1  0.894  0.357  0.154  1.0
  Y  Y2  1  0.394  0.154  0.797  1.0
  Y  Y3  1  0.894  0.797  0.643  1.0
  Y  Y4  1  0.394  0.643  0.846  1.0
  Y  Y5  1  0.394  0.203  0.357  1.0
  Cu  Cu6  1  0.998  0.000  0.000  1.0
  Cu  Cu7  1  0.498  0.000  0.000  1.0
  Sn  Sn8  1  0.325  0.667  0.333  1.0
  Sn  Sn9  1  0.825  0.333  0.667  1.0
  Se  Se10  1  0.969  0.735  0.882  1.0
  Se  Se11  1  0.969  0.147  0.265  1.0
  Se  Se12  1  0.469  0.265  0.118  1.0
  Se  Se13  1  0.969  0.118  0.853  1.0
  Se  Se14  1  0.469  0.853  0.735  1.0
  Se  Se15  1  0.469  0.882  0.147  1.0
  Se  Se16  1  0.643  0.478  0.556  1.0
  Se  Se17  1  0.643  0.078  0.522  1.0
  Se  Se18  1  0.143  0.522  0.444  1.0
  Se  Se19  1  0.643  0.444  0.922  1.0
  Se  Se20  1  0.143  0.922  0.478  1.0
  Se  Se21  1  0.143  0.556  0.078  1.0
  Se  Se22  1  0.717  0.667  0.333  1.0
  Se  Se23  1  0.217  0.333  0.667  1.0
[/CIF]
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