The structure described by Pr3CuGeS7 crystallizes in the hexagonal P6_3 space group. Pr(1) is bonded in a 8-coordinate geometry to one S(2), three equivalent S(3), and four equivalent S(1) atoms. Cu(1) is bonded in a trigonal planar geometry to three equivalent S(1) atoms. Ge(1) is bonded in a tetrahedral geometry to one S(2) and three equivalent S(3) atoms. There are three inequivalent S sites. In the first S site, S(1) is bonded in a 5-coordinate geometry to four equivalent Pr(1) and one Cu(1) atom. In the second S site, S(2) is bonded in a tetrahedral geometry to three equivalent Pr(1) and one Ge(1) atom. In the third S site, S(3) is bonded in a distorted rectangular see-saw-like geometry to three equivalent Pr(1) and one Ge(1) atom. is represented by the Crystallographic Information File (CIF) [CIF]
data_Pr3CuGeS7
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   10.267
_cell_length_b   10.267
_cell_length_c   5.894
_cell_angle_alpha   90.000
_cell_angle_beta   90.000
_cell_angle_gamma   120.000
_symmetry_Int_Tables_number   1
_cell_volume   538.036
_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  0.229  0.873  0.751  1.0
  Pr  Pr1  1  0.356  0.229  0.251  1.0
  Pr  Pr2  1  0.771  0.127  0.251  1.0
  Pr  Pr3  1  0.644  0.771  0.751  1.0
  Pr  Pr4  1  0.127  0.356  0.751  1.0
  Pr  Pr5  1  0.873  0.644  0.251  1.0
  Cu  Cu6  1  0.000  0.000  0.721  1.0
  Cu  Cu7  1  0.000  0.000  0.221  1.0
  Ge  Ge8  1  0.333  0.667  0.332  1.0
  Ge  Ge9  1  0.667  0.333  0.832  1.0
  S  S10  1  0.838  0.090  0.733  1.0
  S  S11  1  0.333  0.667  0.959  1.0
  S  S12  1  0.162  0.910  0.233  1.0
  S  S13  1  0.416  0.521  0.485  1.0
  S  S14  1  0.895  0.416  0.985  1.0
  S  S15  1  0.252  0.162  0.733  1.0
  S  S16  1  0.105  0.584  0.485  1.0
  S  S17  1  0.521  0.105  0.985  1.0
  S  S18  1  0.667  0.333  0.459  1.0
  S  S19  1  0.479  0.895  0.485  1.0
  S  S20  1  0.910  0.748  0.733  1.0
  S  S21  1  0.090  0.252  0.233  1.0
  S  S22  1  0.748  0.838  0.233  1.0
  S  S23  1  0.584  0.479  0.985  1.0
[/CIF]
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The structure described by Pr3CuGeS7 crystallizes in the hexagonal P6_3 space group. Pr(1) is bonded in a 8-coordinate geometry to one S(2), three equivalent S(3), and four equivalent S(1) atoms. Cu(1) is bonded in a trigonal planar geometry to three equivalent S(1) atoms. Ge(1) is bonded in a tetrahedral geometry to one S(2) and three equivalent S(3) atoms. There are three inequivalent S sites. In the first S site, S(1) is bonded in a 5-coordinate geometry to four equivalent Pr(1) and one Cu(1) atom. In the second S site, S(2) is bonded in a tetrahedral geometry to three equivalent Pr(1) and one Ge(1) atom. In the third S site, S(3) is bonded in a distorted rectangular see-saw-like geometry to three equivalent Pr(1) and one Ge(1) atom. is represented by the Crystallographic Information File (CIF) [CIF]
data_Pr3CuGeS7
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   10.267
_cell_length_b   10.267
_cell_length_c   5.894
_cell_angle_alpha   90.000
_cell_angle_beta   90.000
_cell_angle_gamma   120.000
_symmetry_Int_Tables_number   1
_cell_volume   538.036
_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  0.229  0.873  0.751  1.0
  Pr  Pr1  1  0.356  0.229  0.251  1.0
  Pr  Pr2  1  0.771  0.127  0.251  1.0
  Pr  Pr3  1  0.644  0.771  0.751  1.0
  Pr  Pr4  1  0.127  0.356  0.751  1.0
  Pr  Pr5  1  0.873  0.644  0.251  1.0
  Cu  Cu6  1  0.000  0.000  0.721  1.0
  Cu  Cu7  1  0.000  0.000  0.221  1.0
  Ge  Ge8  1  0.333  0.667  0.332  1.0
  Ge  Ge9  1  0.667  0.333  0.832  1.0
  S  S10  1  0.838  0.090  0.733  1.0
  S  S11  1  0.333  0.667  0.959  1.0
  S  S12  1  0.162  0.910  0.233  1.0
  S  S13  1  0.416  0.521  0.485  1.0
  S  S14  1  0.895  0.416  0.985  1.0
  S  S15  1  0.252  0.162  0.733  1.0
  S  S16  1  0.105  0.584  0.485  1.0
  S  S17  1  0.521  0.105  0.985  1.0
  S  S18  1  0.667  0.333  0.459  1.0
  S  S19  1  0.479  0.895  0.485  1.0
  S  S20  1  0.910  0.748  0.733  1.0
  S  S21  1  0.090  0.252  0.233  1.0
  S  S22  1  0.748  0.838  0.233  1.0
  S  S23  1  0.584  0.479  0.985  1.0
[/CIF]
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