The material structure described by Pr3MnAlS7 crystallizes in the hexagonal P6_3 space group. Pr(1) is bonded in a 7-coordinate geometry to one S(1), three equivalent S(2), and three equivalent S(3) atoms. Mn(1) is bonded to six equivalent S(2) atoms to form face-sharing MnS6 octahedra. Al(1) is bonded in a tetrahedral geometry to one S(1) and three equivalent S(3) atoms. There are three inequivalent S sites. In the first S site, S(1) is bonded in a distorted tetrahedral geometry to three equivalent Pr(1) and one Al(1) atom. In the second S site, S(2) is bonded in a 5-coordinate geometry to three equivalent Pr(1) and two equivalent Mn(1) atoms. In the third S site, S(3) is bonded in a distorted rectangular see-saw-like geometry to three equivalent Pr(1) and one Al(1) atom. is represented by the CIF file [CIF]
data_Pr3MnAlS7
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   10.093
_cell_length_b   10.093
_cell_length_c   6.109
_cell_angle_alpha   90.000
_cell_angle_beta   90.000
_cell_angle_gamma   120.000
_symmetry_Int_Tables_number   1
_cell_volume   538.937
_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  0.145  0.376  0.243  1.0
  Pr  Pr1  1  0.855  0.624  0.743  1.0
  Pr  Pr2  1  0.624  0.769  0.243  1.0
  Pr  Pr3  1  0.231  0.855  0.243  1.0
  Pr  Pr4  1  0.769  0.145  0.743  1.0
  Pr  Pr5  1  0.376  0.231  0.743  1.0
  Mn  Mn6  1  0.000  0.000  0.019  1.0
  Mn  Mn7  1  0.000  0.000  0.519  1.0
  Al  Al8  1  0.333  0.667  0.664  1.0
  Al  Al9  1  0.667  0.333  0.164  1.0
  S  S10  1  0.333  0.667  0.029  1.0
  S  S11  1  0.667  0.333  0.529  1.0
  S  S12  1  0.093  0.238  0.792  1.0
  S  S13  1  0.907  0.762  0.292  1.0
  S  S14  1  0.762  0.855  0.792  1.0
  S  S15  1  0.145  0.907  0.792  1.0
  S  S16  1  0.855  0.093  0.292  1.0
  S  S17  1  0.238  0.145  0.292  1.0
  S  S18  1  0.422  0.521  0.517  1.0
  S  S19  1  0.578  0.479  0.017  1.0
  S  S20  1  0.479  0.901  0.517  1.0
  S  S21  1  0.099  0.578  0.517  1.0
  S  S22  1  0.901  0.422  0.017  1.0
  S  S23  1  0.521  0.099  0.017  1.0
[/CIF]
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The material structure described by Pr3MnAlS7 crystallizes in the hexagonal P6_3 space group. Pr(1) is bonded in a 7-coordinate geometry to one S(1), three equivalent S(2), and three equivalent S(3) atoms. Mn(1) is bonded to six equivalent S(2) atoms to form face-sharing MnS6 octahedra. Al(1) is bonded in a tetrahedral geometry to one S(1) and three equivalent S(3) atoms. There are three inequivalent S sites. In the first S site, S(1) is bonded in a distorted tetrahedral geometry to three equivalent Pr(1) and one Al(1) atom. In the second S site, S(2) is bonded in a 5-coordinate geometry to three equivalent Pr(1) and two equivalent Mn(1) atoms. In the third S site, S(3) is bonded in a distorted rectangular see-saw-like geometry to three equivalent Pr(1) and one Al(1) atom. is represented by the CIF file [CIF]
data_Pr3MnAlS7
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   10.093
_cell_length_b   10.093
_cell_length_c   6.109
_cell_angle_alpha   90.000
_cell_angle_beta   90.000
_cell_angle_gamma   120.000
_symmetry_Int_Tables_number   1
_cell_volume   538.937
_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  0.145  0.376  0.243  1.0
  Pr  Pr1  1  0.855  0.624  0.743  1.0
  Pr  Pr2  1  0.624  0.769  0.243  1.0
  Pr  Pr3  1  0.231  0.855  0.243  1.0
  Pr  Pr4  1  0.769  0.145  0.743  1.0
  Pr  Pr5  1  0.376  0.231  0.743  1.0
  Mn  Mn6  1  0.000  0.000  0.019  1.0
  Mn  Mn7  1  0.000  0.000  0.519  1.0
  Al  Al8  1  0.333  0.667  0.664  1.0
  Al  Al9  1  0.667  0.333  0.164  1.0
  S  S10  1  0.333  0.667  0.029  1.0
  S  S11  1  0.667  0.333  0.529  1.0
  S  S12  1  0.093  0.238  0.792  1.0
  S  S13  1  0.907  0.762  0.292  1.0
  S  S14  1  0.762  0.855  0.792  1.0
  S  S15  1  0.145  0.907  0.792  1.0
  S  S16  1  0.855  0.093  0.292  1.0
  S  S17  1  0.238  0.145  0.292  1.0
  S  S18  1  0.422  0.521  0.517  1.0
  S  S19  1  0.578  0.479  0.017  1.0
  S  S20  1  0.479  0.901  0.517  1.0
  S  S21  1  0.099  0.578  0.517  1.0
  S  S22  1  0.901  0.422  0.017  1.0
  S  S23  1  0.521  0.099  0.017  1.0
[/CIF]
.