The material structure described by Gd3CuSnS7 crystallizes in the hexagonal P6_3 space group. Gd(1) is bonded in a 7-coordinate geometry to one S(2), three equivalent S(1), and three equivalent S(3) atoms. Cu(1) is bonded in a trigonal planar geometry to three equivalent S(3) atoms. Sn(1) is bonded in a tetrahedral geometry to one S(2) and three equivalent S(1) atoms. There are three inequivalent S sites. In the first S site, S(1) is bonded in a rectangular see-saw-like geometry to three equivalent Gd(1) and one Sn(1) atom. In the second S site, S(2) is bonded in a tetrahedral geometry to three equivalent Gd(1) and one Sn(1) atom. In the third S site, S(3) is bonded in a 4-coordinate geometry to three equivalent Gd(1) and one Cu(1) atom. is represented by the Crystallographic Information File (CIF) [CIF]
data_Gd3CuSnS7
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   9.894
_cell_length_b   9.894
_cell_length_c   6.226
_cell_angle_alpha   90.000
_cell_angle_beta   90.000
_cell_angle_gamma   120.000
_symmetry_Int_Tables_number   1
_cell_volume   527.847
_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
  Gd  Gd0  1  0.641  0.859  0.768  1.0
  Gd  Gd1  1  0.359  0.141  0.268  1.0
  Gd  Gd2  1  0.217  0.359  0.768  1.0
  Gd  Gd3  1  0.783  0.641  0.268  1.0
  Gd  Gd4  1  0.859  0.217  0.268  1.0
  Gd  Gd5  1  0.141  0.783  0.768  1.0
  Cu  Cu6  1  0.000  0.000  0.167  1.0
  Cu  Cu7  1  0.000  0.000  0.667  1.0
  Sn  Sn8  1  0.667  0.333  0.834  1.0
  Sn  Sn9  1  0.333  0.667  0.334  1.0
  S  S10  1  0.484  0.568  0.514  1.0
  S  S11  1  0.085  0.516  0.514  1.0
  S  S12  1  0.915  0.484  0.014  1.0
  S  S13  1  0.667  0.333  0.449  1.0
  S  S14  1  0.893  0.152  0.697  1.0
  S  S15  1  0.568  0.085  0.014  1.0
  S  S16  1  0.333  0.667  0.949  1.0
  S  S17  1  0.432  0.915  0.514  1.0
  S  S18  1  0.259  0.107  0.697  1.0
  S  S19  1  0.152  0.259  0.197  1.0
  S  S20  1  0.741  0.893  0.197  1.0
  S  S21  1  0.516  0.432  0.014  1.0
  S  S22  1  0.107  0.848  0.197  1.0
  S  S23  1  0.848  0.741  0.697  1.0
[/CIF]
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The material structure described by Gd3CuSnS7 crystallizes in the hexagonal P6_3 space group. Gd(1) is bonded in a 7-coordinate geometry to one S(2), three equivalent S(1), and three equivalent S(3) atoms. Cu(1) is bonded in a trigonal planar geometry to three equivalent S(3) atoms. Sn(1) is bonded in a tetrahedral geometry to one S(2) and three equivalent S(1) atoms. There are three inequivalent S sites. In the first S site, S(1) is bonded in a rectangular see-saw-like geometry to three equivalent Gd(1) and one Sn(1) atom. In the second S site, S(2) is bonded in a tetrahedral geometry to three equivalent Gd(1) and one Sn(1) atom. In the third S site, S(3) is bonded in a 4-coordinate geometry to three equivalent Gd(1) and one Cu(1) atom. is represented by the Crystallographic Information File (CIF) [CIF]
data_Gd3CuSnS7
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   9.894
_cell_length_b   9.894
_cell_length_c   6.226
_cell_angle_alpha   90.000
_cell_angle_beta   90.000
_cell_angle_gamma   120.000
_symmetry_Int_Tables_number   1
_cell_volume   527.847
_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
  Gd  Gd0  1  0.641  0.859  0.768  1.0
  Gd  Gd1  1  0.359  0.141  0.268  1.0
  Gd  Gd2  1  0.217  0.359  0.768  1.0
  Gd  Gd3  1  0.783  0.641  0.268  1.0
  Gd  Gd4  1  0.859  0.217  0.268  1.0
  Gd  Gd5  1  0.141  0.783  0.768  1.0
  Cu  Cu6  1  0.000  0.000  0.167  1.0
  Cu  Cu7  1  0.000  0.000  0.667  1.0
  Sn  Sn8  1  0.667  0.333  0.834  1.0
  Sn  Sn9  1  0.333  0.667  0.334  1.0
  S  S10  1  0.484  0.568  0.514  1.0
  S  S11  1  0.085  0.516  0.514  1.0
  S  S12  1  0.915  0.484  0.014  1.0
  S  S13  1  0.667  0.333  0.449  1.0
  S  S14  1  0.893  0.152  0.697  1.0
  S  S15  1  0.568  0.085  0.014  1.0
  S  S16  1  0.333  0.667  0.949  1.0
  S  S17  1  0.432  0.915  0.514  1.0
  S  S18  1  0.259  0.107  0.697  1.0
  S  S19  1  0.152  0.259  0.197  1.0
  S  S20  1  0.741  0.893  0.197  1.0
  S  S21  1  0.516  0.432  0.014  1.0
  S  S22  1  0.107  0.848  0.197  1.0
  S  S23  1  0.848  0.741  0.697  1.0
[/CIF]
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