The crystal structure described by Pr6Ge3S14 crystallizes in the trigonal P3 space group. There are two inequivalent Pr sites. In the first Pr site, Pr(1) is bonded in a 8-coordinate geometry to one S(2), one S(3), two equivalent S(1), two equivalent S(5), and two equivalent S(6) atoms. In the second Pr site, Pr(2) is bonded in a 8-coordinate geometry to one S(1), one S(4), two equivalent S(2), two equivalent S(5), and two equivalent S(6) atoms. There are three inequivalent Ge sites. In the first Ge site, Ge(1) is bonded in a tetrahedral geometry to one S(3) and three equivalent S(1) atoms. In the second Ge site, Ge(2) is bonded in a tetrahedral geometry to one S(4) and three equivalent S(2) atoms. In the third Ge site, Ge(3) is bonded in an octahedral geometry to three equivalent S(5) and three equivalent S(6) atoms. There are six inequivalent S sites. In the first S site, S(1) is bonded in a distorted rectangular see-saw-like geometry to one Pr(2), two equivalent Pr(1), and one Ge(1) atom. In the second S site, S(2) is bonded in a distorted rectangular see-saw-like geometry to one Pr(1), two equivalent Pr(2), and one Ge(2) atom. In the third S site, S(3) is bonded to three equivalent Pr(1) and one Ge(1) atom to form corner-sharing SPr3Ge tetrahedra. In the fourth S site, S(4) is bonded to three equivalent Pr(2) and one Ge(2) atom to form corner-sharing SPr3Ge tetrahedra. In the fifth S site, S(5) is bonded to two equivalent Pr(1), two equivalent Pr(2), and one Ge(3) atom to form distorted SPr4Ge trigonal bipyramids that share corners with two equivalent S(3)Pr3Ge tetrahedra, corners with two equivalent S(4)Pr3Ge tetrahedra,  a cornercorner with one S(6)Pr4Ge trigonal bipyramid, corners with two equivalent S(5)Pr4Ge trigonal bipyramids, edges with two equivalent S(5)Pr4Ge trigonal bipyramids, edges with two equivalent S(6)Pr4Ge trigonal bipyramids, and faces with two equivalent S(6)Pr4Ge trigonal bipyramids. In the sixth S site, S(6) is bonded to two equivalent Pr(1), two equivalent Pr(2), and one Ge(3) atom to form distorted SPr4Ge trigonal bipyramids that share corners with two equivalent S(3)Pr3Ge tetrahedra, corners with two equivalent S(4)Pr3Ge tetrahedra,  a cornercorner with one S(5)Pr4Ge trigonal bipyramid, corners with two equivalent S(6)Pr4Ge trigonal bipyramids, edges with two equivalent S(5)Pr4Ge trigonal bipyramids, edges with two equivalent S(6)Pr4Ge trigonal bipyramids, and faces with two equivalent S(5)Pr4Ge trigonal bipyramids. is represented by the CIF card [CIF]
data_Pr6Ge3S14
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   10.330
_cell_length_b   10.330
_cell_length_c   5.815
_cell_angle_alpha   90.000
_cell_angle_beta   90.000
_cell_angle_gamma   120.000
_symmetry_Int_Tables_number   1
_cell_volume   537.367
_cell_formula_units_Z   1
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  0.309  0.100  0.757  1.0
  Pr  Pr1  1  0.791  0.691  0.757  1.0
  Pr  Pr2  1  0.900  0.209  0.757  1.0
  Pr  Pr3  1  0.026  0.566  0.248  1.0
  Pr  Pr4  1  0.541  0.974  0.248  1.0
  Pr  Pr5  1  0.434  0.459  0.248  1.0
  Ge  Ge6  1  0.000  1.000  0.173  1.0
  Ge  Ge7  1  0.333  0.667  0.664  1.0
  Ge  Ge8  1  0.667  0.333  0.513  1.0
  S  S9  1  0.147  0.225  0.019  1.0
  S  S10  1  0.078  0.853  0.019  1.0
  S  S11  1  0.775  0.922  0.019  1.0
  S  S12  1  0.187  0.441  0.513  1.0
  S  S13  1  0.255  0.813  0.513  1.0
  S  S14  1  0.559  0.745  0.513  1.0
  S  S15  1  0.000  1.000  0.547  1.0
  S  S16  1  0.333  0.667  0.039  1.0
  S  S17  1  0.414  0.170  0.275  1.0
  S  S18  1  0.756  0.586  0.275  1.0
  S  S19  1  0.830  0.244  0.275  1.0
  S  S20  1  0.922  0.501  0.762  1.0
  S  S21  1  0.578  0.078  0.762  1.0
  S  S22  1  0.499  0.422  0.762  1.0
[/CIF]
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The crystal structure described by Pr6Ge3S14 crystallizes in the trigonal P3 space group. There are two inequivalent Pr sites. In the first Pr site, Pr(1) is bonded in a 8-coordinate geometry to one S(2), one S(3), two equivalent S(1), two equivalent S(5), and two equivalent S(6) atoms. In the second Pr site, Pr(2) is bonded in a 8-coordinate geometry to one S(1), one S(4), two equivalent S(2), two equivalent S(5), and two equivalent S(6) atoms. There are three inequivalent Ge sites. In the first Ge site, Ge(1) is bonded in a tetrahedral geometry to one S(3) and three equivalent S(1) atoms. In the second Ge site, Ge(2) is bonded in a tetrahedral geometry to one S(4) and three equivalent S(2) atoms. In the third Ge site, Ge(3) is bonded in an octahedral geometry to three equivalent S(5) and three equivalent S(6) atoms. There are six inequivalent S sites. In the first S site, S(1) is bonded in a distorted rectangular see-saw-like geometry to one Pr(2), two equivalent Pr(1), and one Ge(1) atom. In the second S site, S(2) is bonded in a distorted rectangular see-saw-like geometry to one Pr(1), two equivalent Pr(2), and one Ge(2) atom. In the third S site, S(3) is bonded to three equivalent Pr(1) and one Ge(1) atom to form corner-sharing SPr3Ge tetrahedra. In the fourth S site, S(4) is bonded to three equivalent Pr(2) and one Ge(2) atom to form corner-sharing SPr3Ge tetrahedra. In the fifth S site, S(5) is bonded to two equivalent Pr(1), two equivalent Pr(2), and one Ge(3) atom to form distorted SPr4Ge trigonal bipyramids that share corners with two equivalent S(3)Pr3Ge tetrahedra, corners with two equivalent S(4)Pr3Ge tetrahedra,  a cornercorner with one S(6)Pr4Ge trigonal bipyramid, corners with two equivalent S(5)Pr4Ge trigonal bipyramids, edges with two equivalent S(5)Pr4Ge trigonal bipyramids, edges with two equivalent S(6)Pr4Ge trigonal bipyramids, and faces with two equivalent S(6)Pr4Ge trigonal bipyramids. In the sixth S site, S(6) is bonded to two equivalent Pr(1), two equivalent Pr(2), and one Ge(3) atom to form distorted SPr4Ge trigonal bipyramids that share corners with two equivalent S(3)Pr3Ge tetrahedra, corners with two equivalent S(4)Pr3Ge tetrahedra,  a cornercorner with one S(5)Pr4Ge trigonal bipyramid, corners with two equivalent S(6)Pr4Ge trigonal bipyramids, edges with two equivalent S(5)Pr4Ge trigonal bipyramids, edges with two equivalent S(6)Pr4Ge trigonal bipyramids, and faces with two equivalent S(5)Pr4Ge trigonal bipyramids. is represented by the CIF card [CIF]
data_Pr6Ge3S14
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   10.330
_cell_length_b   10.330
_cell_length_c   5.815
_cell_angle_alpha   90.000
_cell_angle_beta   90.000
_cell_angle_gamma   120.000
_symmetry_Int_Tables_number   1
_cell_volume   537.367
_cell_formula_units_Z   1
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  0.309  0.100  0.757  1.0
  Pr  Pr1  1  0.791  0.691  0.757  1.0
  Pr  Pr2  1  0.900  0.209  0.757  1.0
  Pr  Pr3  1  0.026  0.566  0.248  1.0
  Pr  Pr4  1  0.541  0.974  0.248  1.0
  Pr  Pr5  1  0.434  0.459  0.248  1.0
  Ge  Ge6  1  0.000  1.000  0.173  1.0
  Ge  Ge7  1  0.333  0.667  0.664  1.0
  Ge  Ge8  1  0.667  0.333  0.513  1.0
  S  S9  1  0.147  0.225  0.019  1.0
  S  S10  1  0.078  0.853  0.019  1.0
  S  S11  1  0.775  0.922  0.019  1.0
  S  S12  1  0.187  0.441  0.513  1.0
  S  S13  1  0.255  0.813  0.513  1.0
  S  S14  1  0.559  0.745  0.513  1.0
  S  S15  1  0.000  1.000  0.547  1.0
  S  S16  1  0.333  0.667  0.039  1.0
  S  S17  1  0.414  0.170  0.275  1.0
  S  S18  1  0.756  0.586  0.275  1.0
  S  S19  1  0.830  0.244  0.275  1.0
  S  S20  1  0.922  0.501  0.762  1.0
  S  S21  1  0.578  0.078  0.762  1.0
  S  S22  1  0.499  0.422  0.762  1.0
[/CIF]
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