The structure described by Pr4MnS7 crystallizes in the hexagonal P6_3 space group. There are two inequivalent Pr sites. In the first Pr site, Pr(1) is bonded in a 6-coordinate geometry to one S(3), two equivalent S(2), and three equivalent S(1) atoms. In the second Pr site, Pr(2) is bonded in a distorted rectangular see-saw-like geometry to one S(3) and three equivalent S(2) atoms. Mn(1) is bonded in a distorted trigonal non-coplanar geometry to three equivalent S(1) atoms. There are three inequivalent S sites. In the first S site, S(1) is bonded in a 4-coordinate geometry to three equivalent Pr(1) and one Mn(1) atom. In the second S site, S(2) is bonded in a 3-coordinate geometry to one Pr(2) and two equivalent Pr(1) atoms. In the third S site, S(3) is bonded in a tetrahedral geometry to one Pr(2) and three equivalent Pr(1) atoms. is represented by the Crystallographic Information File (CIF) [CIF]
data_Pr4MnS7
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   9.872
_cell_length_b   9.872
_cell_length_c   7.100
_cell_angle_alpha   90.000
_cell_angle_beta   90.000
_cell_angle_gamma   120.000
_symmetry_Int_Tables_number   1
_cell_volume   599.331
_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  0.802  0.180  0.224  1.0
  Pr  Pr1  1  0.378  0.198  0.224  1.0
  Pr  Pr2  1  0.820  0.622  0.224  1.0
  Pr  Pr3  1  0.198  0.820  0.724  1.0
  Pr  Pr4  1  0.622  0.802  0.724  1.0
  Pr  Pr5  1  0.180  0.378  0.724  1.0
  Pr  Pr6  1  0.667  0.333  0.678  1.0
  Pr  Pr7  1  0.333  0.667  0.178  1.0
  Mn  Mn8  1  0.000  0.000  0.979  1.0
  Mn  Mn9  1  0.000  0.000  0.479  1.0
  S  S10  1  0.872  0.120  0.829  1.0
  S  S11  1  0.248  0.128  0.829  1.0
  S  S12  1  0.880  0.752  0.829  1.0
  S  S13  1  0.128  0.880  0.329  1.0
  S  S14  1  0.752  0.872  0.329  1.0
  S  S15  1  0.120  0.248  0.329  1.0
  S  S16  1  0.927  0.456  0.460  1.0
  S  S17  1  0.529  0.073  0.460  1.0
  S  S18  1  0.544  0.471  0.460  1.0
  S  S19  1  0.073  0.544  0.960  1.0
  S  S20  1  0.471  0.927  0.960  1.0
  S  S21  1  0.456  0.529  0.960  1.0
  S  S22  1  0.667  0.333  0.058  1.0
  S  S23  1  0.333  0.667  0.558  1.0
[/CIF]
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The structure described by Pr4MnS7 crystallizes in the hexagonal P6_3 space group. There are two inequivalent Pr sites. In the first Pr site, Pr(1) is bonded in a 6-coordinate geometry to one S(3), two equivalent S(2), and three equivalent S(1) atoms. In the second Pr site, Pr(2) is bonded in a distorted rectangular see-saw-like geometry to one S(3) and three equivalent S(2) atoms. Mn(1) is bonded in a distorted trigonal non-coplanar geometry to three equivalent S(1) atoms. There are three inequivalent S sites. In the first S site, S(1) is bonded in a 4-coordinate geometry to three equivalent Pr(1) and one Mn(1) atom. In the second S site, S(2) is bonded in a 3-coordinate geometry to one Pr(2) and two equivalent Pr(1) atoms. In the third S site, S(3) is bonded in a tetrahedral geometry to one Pr(2) and three equivalent Pr(1) atoms. is represented by the Crystallographic Information File (CIF) [CIF]
data_Pr4MnS7
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   9.872
_cell_length_b   9.872
_cell_length_c   7.100
_cell_angle_alpha   90.000
_cell_angle_beta   90.000
_cell_angle_gamma   120.000
_symmetry_Int_Tables_number   1
_cell_volume   599.331
_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  0.802  0.180  0.224  1.0
  Pr  Pr1  1  0.378  0.198  0.224  1.0
  Pr  Pr2  1  0.820  0.622  0.224  1.0
  Pr  Pr3  1  0.198  0.820  0.724  1.0
  Pr  Pr4  1  0.622  0.802  0.724  1.0
  Pr  Pr5  1  0.180  0.378  0.724  1.0
  Pr  Pr6  1  0.667  0.333  0.678  1.0
  Pr  Pr7  1  0.333  0.667  0.178  1.0
  Mn  Mn8  1  0.000  0.000  0.979  1.0
  Mn  Mn9  1  0.000  0.000  0.479  1.0
  S  S10  1  0.872  0.120  0.829  1.0
  S  S11  1  0.248  0.128  0.829  1.0
  S  S12  1  0.880  0.752  0.829  1.0
  S  S13  1  0.128  0.880  0.329  1.0
  S  S14  1  0.752  0.872  0.329  1.0
  S  S15  1  0.120  0.248  0.329  1.0
  S  S16  1  0.927  0.456  0.460  1.0
  S  S17  1  0.529  0.073  0.460  1.0
  S  S18  1  0.544  0.471  0.460  1.0
  S  S19  1  0.073  0.544  0.960  1.0
  S  S20  1  0.471  0.927  0.960  1.0
  S  S21  1  0.456  0.529  0.960  1.0
  S  S22  1  0.667  0.333  0.058  1.0
  S  S23  1  0.333  0.667  0.558  1.0
[/CIF]
.