The crystal structure described by Gd3CuSiS7 crystallizes in the hexagonal P6_3 space group. Gd(1) is bonded in a 8-coordinate geometry to one S(1), three equivalent S(2), and four equivalent S(3) atoms. Cu(1) is bonded in a trigonal planar geometry to three equivalent S(3) atoms. Si(1) is bonded in a tetrahedral geometry to one S(1) and three equivalent S(2) atoms. There are three inequivalent S sites. In the first S site, S(1) is bonded in a distorted tetrahedral geometry to three equivalent Gd(1) and one Si(1) atom. In the second S site, S(2) is bonded in a distorted rectangular see-saw-like geometry to three equivalent Gd(1) and one Si(1) atom. In the third S site, S(3) is bonded in a 5-coordinate geometry to four equivalent Gd(1) and one Cu(1) atom. is represented by the CIF card [CIF]
data_Gd3CuSiS7
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   5.725
_cell_length_b   10.004
_cell_length_c   10.005
_cell_angle_alpha   120.000
_cell_angle_beta   90.000
_cell_angle_gamma   90.000
_symmetry_Int_Tables_number   1
_cell_volume   496.222
_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  0.250  0.770  0.127  1.0
  Gd  Gd1  1  0.250  0.873  0.643  1.0
  Gd  Gd2  1  0.250  0.357  0.231  1.0
  Gd  Gd3  1  0.750  0.230  0.873  1.0
  Gd  Gd4  1  0.750  0.127  0.357  1.0
  Gd  Gd5  1  0.750  0.643  0.769  1.0
  Cu  Cu6  1  0.214  0.000  1.000  1.0
  Cu  Cu7  1  0.714  1.000  0.000  1.0
  Si  Si8  1  0.337  0.333  0.667  1.0
  Si  Si9  1  0.837  0.667  0.333  1.0
  S  S10  1  0.969  0.333  0.667  1.0
  S  S11  1  0.469  0.667  0.333  1.0
  S  S12  1  0.984  0.891  0.415  1.0
  S  S13  1  0.984  0.585  0.476  1.0
  S  S14  1  0.984  0.524  0.109  1.0
  S  S15  1  0.484  0.109  0.585  1.0
  S  S16  1  0.484  0.415  0.524  1.0
  S  S17  1  0.484  0.476  0.891  1.0
  S  S18  1  0.731  0.835  0.091  1.0
  S  S19  1  0.731  0.909  0.744  1.0
  S  S20  1  0.731  0.256  0.165  1.0
  S  S21  1  0.231  0.165  0.909  1.0
  S  S22  1  0.231  0.091  0.256  1.0
  S  S23  1  0.231  0.744  0.835  1.0
[/CIF]
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The crystal structure described by Gd3CuSiS7 crystallizes in the hexagonal P6_3 space group. Gd(1) is bonded in a 8-coordinate geometry to one S(1), three equivalent S(2), and four equivalent S(3) atoms. Cu(1) is bonded in a trigonal planar geometry to three equivalent S(3) atoms. Si(1) is bonded in a tetrahedral geometry to one S(1) and three equivalent S(2) atoms. There are three inequivalent S sites. In the first S site, S(1) is bonded in a distorted tetrahedral geometry to three equivalent Gd(1) and one Si(1) atom. In the second S site, S(2) is bonded in a distorted rectangular see-saw-like geometry to three equivalent Gd(1) and one Si(1) atom. In the third S site, S(3) is bonded in a 5-coordinate geometry to four equivalent Gd(1) and one Cu(1) atom. is represented by the CIF card [CIF]
data_Gd3CuSiS7
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   5.725
_cell_length_b   10.004
_cell_length_c   10.005
_cell_angle_alpha   120.000
_cell_angle_beta   90.000
_cell_angle_gamma   90.000
_symmetry_Int_Tables_number   1
_cell_volume   496.222
_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  0.250  0.770  0.127  1.0
  Gd  Gd1  1  0.250  0.873  0.643  1.0
  Gd  Gd2  1  0.250  0.357  0.231  1.0
  Gd  Gd3  1  0.750  0.230  0.873  1.0
  Gd  Gd4  1  0.750  0.127  0.357  1.0
  Gd  Gd5  1  0.750  0.643  0.769  1.0
  Cu  Cu6  1  0.214  0.000  1.000  1.0
  Cu  Cu7  1  0.714  1.000  0.000  1.0
  Si  Si8  1  0.337  0.333  0.667  1.0
  Si  Si9  1  0.837  0.667  0.333  1.0
  S  S10  1  0.969  0.333  0.667  1.0
  S  S11  1  0.469  0.667  0.333  1.0
  S  S12  1  0.984  0.891  0.415  1.0
  S  S13  1  0.984  0.585  0.476  1.0
  S  S14  1  0.984  0.524  0.109  1.0
  S  S15  1  0.484  0.109  0.585  1.0
  S  S16  1  0.484  0.415  0.524  1.0
  S  S17  1  0.484  0.476  0.891  1.0
  S  S18  1  0.731  0.835  0.091  1.0
  S  S19  1  0.731  0.909  0.744  1.0
  S  S20  1  0.731  0.256  0.165  1.0
  S  S21  1  0.231  0.165  0.909  1.0
  S  S22  1  0.231  0.091  0.256  1.0
  S  S23  1  0.231  0.744  0.835  1.0
[/CIF]
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