The material described by Pr4(GeS4)3 crystallizes in the trigonal R3c space group. There are two inequivalent Pr sites. In the first Pr site, Pr(1) is bonded in a 9-coordinate geometry to three equivalent S(3) and six equivalent S(2) atoms. In the second Pr site, Pr(2) is bonded in a 7-coordinate geometry to one S(2), two equivalent S(1), two equivalent S(3), and two equivalent S(4) atoms. Ge(1) is bonded in a tetrahedral geometry to one S(1), one S(2), one S(3), and one S(4) atom. There are four inequivalent S sites. In the first S site, S(1) is bonded in a 3-coordinate geometry to two equivalent Pr(2) and one Ge(1) atom. In the second S site, S(2) is bonded to one Pr(2), two equivalent Pr(1), and one Ge(1) atom to form a mixture of distorted corner and edge-sharing SPr3Ge tetrahedra. In the third S site, S(3) is bonded in a 4-coordinate geometry to one Pr(1), two equivalent Pr(2), and one Ge(1) atom. In the fourth S site, S(4) is bonded in a 3-coordinate geometry to two equivalent Pr(2) and one Ge(1) atom. is represented by the CIF file [CIF]
data_Pr4(GeS4)3
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   11.571
_cell_length_b   11.571
_cell_length_c   11.571
_cell_angle_alpha   114.793
_cell_angle_beta   114.793
_cell_angle_gamma   114.793
_symmetry_Int_Tables_number   1
_cell_volume   883.033
_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  0.995  0.995  0.995  1.0
  Pr  Pr1  1  0.495  0.495  0.495  1.0
  Pr  Pr2  1  0.432  0.208  0.971  1.0
  Pr  Pr3  1  0.208  0.971  0.432  1.0
  Pr  Pr4  1  0.971  0.432  0.208  1.0
  Pr  Pr5  1  0.708  0.932  0.471  1.0
  Pr  Pr6  1  0.932  0.471  0.708  1.0
  Pr  Pr7  1  0.471  0.708  0.932  1.0
  Ge  Ge8  1  0.140  0.352  0.966  1.0
  Ge  Ge9  1  0.352  0.966  0.140  1.0
  Ge  Ge10  1  0.966  0.140  0.352  1.0
  Ge  Ge11  1  0.852  0.640  0.466  1.0
  Ge  Ge12  1  0.640  0.466  0.852  1.0
  Ge  Ge13  1  0.466  0.852  0.640  1.0
  S  S14  1  0.385  0.312  0.780  1.0
  S  S15  1  0.312  0.780  0.385  1.0
  S  S16  1  0.780  0.385  0.312  1.0
  S  S17  1  0.812  0.885  0.280  1.0
  S  S18  1  0.885  0.280  0.812  1.0
  S  S19  1  0.280  0.812  0.885  1.0
  S  S20  1  0.183  0.370  0.183  1.0
  S  S21  1  0.370  0.183  0.183  1.0
  S  S22  1  0.183  0.183  0.370  1.0
  S  S23  1  0.870  0.683  0.683  1.0
  S  S24  1  0.683  0.683  0.870  1.0
  S  S25  1  0.683  0.870  0.683  1.0
  S  S26  1  0.084  0.112  0.796  1.0
  S  S27  1  0.112  0.796  0.084  1.0
  S  S28  1  0.796  0.084  0.112  1.0
  S  S29  1  0.612  0.584  0.296  1.0
  S  S30  1  0.584  0.296  0.612  1.0
  S  S31  1  0.296  0.612  0.584  1.0
  S  S32  1  0.847  0.581  0.124  1.0
  S  S33  1  0.581  0.124  0.847  1.0
  S  S34  1  0.124  0.847  0.581  1.0
  S  S35  1  0.081  0.347  0.624  1.0
  S  S36  1  0.347  0.624  0.081  1.0
  S  S37  1  0.624  0.081  0.347  1.0
[/CIF]
.
The material described by Pr4(GeS4)3 crystallizes in the trigonal R3c space group. There are two inequivalent Pr sites. In the first Pr site, Pr(1) is bonded in a 9-coordinate geometry to three equivalent S(3) and six equivalent S(2) atoms. In the second Pr site, Pr(2) is bonded in a 7-coordinate geometry to one S(2), two equivalent S(1), two equivalent S(3), and two equivalent S(4) atoms. Ge(1) is bonded in a tetrahedral geometry to one S(1), one S(2), one S(3), and one S(4) atom. There are four inequivalent S sites. In the first S site, S(1) is bonded in a 3-coordinate geometry to two equivalent Pr(2) and one Ge(1) atom. In the second S site, S(2) is bonded to one Pr(2), two equivalent Pr(1), and one Ge(1) atom to form a mixture of distorted corner and edge-sharing SPr3Ge tetrahedra. In the third S site, S(3) is bonded in a 4-coordinate geometry to one Pr(1), two equivalent Pr(2), and one Ge(1) atom. In the fourth S site, S(4) is bonded in a 3-coordinate geometry to two equivalent Pr(2) and one Ge(1) atom. is represented by the CIF file [CIF]
data_Pr4(GeS4)3
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   11.571
_cell_length_b   11.571
_cell_length_c   11.571
_cell_angle_alpha   114.793
_cell_angle_beta   114.793
_cell_angle_gamma   114.793
_symmetry_Int_Tables_number   1
_cell_volume   883.033
_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  0.995  0.995  0.995  1.0
  Pr  Pr1  1  0.495  0.495  0.495  1.0
  Pr  Pr2  1  0.432  0.208  0.971  1.0
  Pr  Pr3  1  0.208  0.971  0.432  1.0
  Pr  Pr4  1  0.971  0.432  0.208  1.0
  Pr  Pr5  1  0.708  0.932  0.471  1.0
  Pr  Pr6  1  0.932  0.471  0.708  1.0
  Pr  Pr7  1  0.471  0.708  0.932  1.0
  Ge  Ge8  1  0.140  0.352  0.966  1.0
  Ge  Ge9  1  0.352  0.966  0.140  1.0
  Ge  Ge10  1  0.966  0.140  0.352  1.0
  Ge  Ge11  1  0.852  0.640  0.466  1.0
  Ge  Ge12  1  0.640  0.466  0.852  1.0
  Ge  Ge13  1  0.466  0.852  0.640  1.0
  S  S14  1  0.385  0.312  0.780  1.0
  S  S15  1  0.312  0.780  0.385  1.0
  S  S16  1  0.780  0.385  0.312  1.0
  S  S17  1  0.812  0.885  0.280  1.0
  S  S18  1  0.885  0.280  0.812  1.0
  S  S19  1  0.280  0.812  0.885  1.0
  S  S20  1  0.183  0.370  0.183  1.0
  S  S21  1  0.370  0.183  0.183  1.0
  S  S22  1  0.183  0.183  0.370  1.0
  S  S23  1  0.870  0.683  0.683  1.0
  S  S24  1  0.683  0.683  0.870  1.0
  S  S25  1  0.683  0.870  0.683  1.0
  S  S26  1  0.084  0.112  0.796  1.0
  S  S27  1  0.112  0.796  0.084  1.0
  S  S28  1  0.796  0.084  0.112  1.0
  S  S29  1  0.612  0.584  0.296  1.0
  S  S30  1  0.584  0.296  0.612  1.0
  S  S31  1  0.296  0.612  0.584  1.0
  S  S32  1  0.847  0.581  0.124  1.0
  S  S33  1  0.581  0.124  0.847  1.0
  S  S34  1  0.124  0.847  0.581  1.0
  S  S35  1  0.081  0.347  0.624  1.0
  S  S36  1  0.347  0.624  0.081  1.0
  S  S37  1  0.624  0.081  0.347  1.0
[/CIF]
.