The material structure described by Pr3CuSiS7 crystallizes in the hexagonal P6_3 space group. Pr(1) is bonded in a 8-coordinate geometry to one S(2), three equivalent S(1), 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(2) and three equivalent S(1) atoms. There are three inequivalent S sites. In the first S site, S(1) is bonded in a distorted rectangular see-saw-like geometry to three equivalent Pr(1) and one Si(1) atom. In the second S site, S(2) is bonded in a distorted tetrahedral geometry to three equivalent Pr(1) and one Si(1) atom. In the third S site, S(3) is bonded in a 5-coordinate geometry to four equivalent Pr(1) and one Cu(1) atom. is represented by the CIF file [CIF]
data_Pr3CuSiS7
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   10.282
_cell_length_b   10.282
_cell_length_c   5.798
_cell_angle_alpha   90.000
_cell_angle_beta   90.000
_cell_angle_gamma   120.000
_symmetry_Int_Tables_number   1
_cell_volume   530.859
_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
  Pr  Pr0  1  0.124  0.357  0.731  1.0
  Pr  Pr1  1  0.767  0.124  0.231  1.0
  Pr  Pr2  1  0.233  0.876  0.731  1.0
  Pr  Pr3  1  0.357  0.233  0.231  1.0
  Pr  Pr4  1  0.643  0.767  0.731  1.0
  Pr  Pr5  1  0.876  0.643  0.231  1.0
  Cu  Cu6  1  0.000  0.000  0.216  1.0
  Cu  Cu7  1  0.000  0.000  0.716  1.0
  Si  Si8  1  0.667  0.333  0.816  1.0
  Si  Si9  1  0.333  0.667  0.316  1.0
  S  S10  1  0.476  0.886  0.459  1.0
  S  S11  1  0.114  0.589  0.459  1.0
  S  S12  1  0.667  0.333  0.452  1.0
  S  S13  1  0.086  0.250  0.222  1.0
  S  S14  1  0.411  0.524  0.459  1.0
  S  S15  1  0.333  0.667  0.952  1.0
  S  S16  1  0.886  0.411  0.959  1.0
  S  S17  1  0.914  0.750  0.722  1.0
  S  S18  1  0.164  0.914  0.222  1.0
  S  S19  1  0.589  0.476  0.959  1.0
  S  S20  1  0.750  0.836  0.222  1.0
  S  S21  1  0.524  0.114  0.959  1.0
  S  S22  1  0.250  0.164  0.722  1.0
  S  S23  1  0.836  0.086  0.722  1.0
[/CIF]
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The material structure described by Pr3CuSiS7 crystallizes in the hexagonal P6_3 space group. Pr(1) is bonded in a 8-coordinate geometry to one S(2), three equivalent S(1), 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(2) and three equivalent S(1) atoms. There are three inequivalent S sites. In the first S site, S(1) is bonded in a distorted rectangular see-saw-like geometry to three equivalent Pr(1) and one Si(1) atom. In the second S site, S(2) is bonded in a distorted tetrahedral geometry to three equivalent Pr(1) and one Si(1) atom. In the third S site, S(3) is bonded in a 5-coordinate geometry to four equivalent Pr(1) and one Cu(1) atom. is represented by the CIF file [CIF]
data_Pr3CuSiS7
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   10.282
_cell_length_b   10.282
_cell_length_c   5.798
_cell_angle_alpha   90.000
_cell_angle_beta   90.000
_cell_angle_gamma   120.000
_symmetry_Int_Tables_number   1
_cell_volume   530.859
_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
  Pr  Pr0  1  0.124  0.357  0.731  1.0
  Pr  Pr1  1  0.767  0.124  0.231  1.0
  Pr  Pr2  1  0.233  0.876  0.731  1.0
  Pr  Pr3  1  0.357  0.233  0.231  1.0
  Pr  Pr4  1  0.643  0.767  0.731  1.0
  Pr  Pr5  1  0.876  0.643  0.231  1.0
  Cu  Cu6  1  0.000  0.000  0.216  1.0
  Cu  Cu7  1  0.000  0.000  0.716  1.0
  Si  Si8  1  0.667  0.333  0.816  1.0
  Si  Si9  1  0.333  0.667  0.316  1.0
  S  S10  1  0.476  0.886  0.459  1.0
  S  S11  1  0.114  0.589  0.459  1.0
  S  S12  1  0.667  0.333  0.452  1.0
  S  S13  1  0.086  0.250  0.222  1.0
  S  S14  1  0.411  0.524  0.459  1.0
  S  S15  1  0.333  0.667  0.952  1.0
  S  S16  1  0.886  0.411  0.959  1.0
  S  S17  1  0.914  0.750  0.722  1.0
  S  S18  1  0.164  0.914  0.222  1.0
  S  S19  1  0.589  0.476  0.959  1.0
  S  S20  1  0.750  0.836  0.222  1.0
  S  S21  1  0.524  0.114  0.959  1.0
  S  S22  1  0.250  0.164  0.722  1.0
  S  S23  1  0.836  0.086  0.722  1.0
[/CIF]
.