The crystal structure described by Pr6Mn(SiS7)2 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(1), one S(6), two equivalent S(3), two equivalent S(4), and two equivalent S(5) atoms. In the second Pr site, Pr(2) is bonded in a 8-coordinate geometry to one S(2), one S(5), two equivalent S(3), two equivalent S(4), and two equivalent S(6) atoms. Mn(1) is bonded in an octahedral geometry to three equivalent S(3) and three equivalent S(4) atoms. There are two inequivalent Si sites. In the first Si site, Si(1) is bonded in a tetrahedral geometry to one S(1) and three equivalent S(5) atoms. In the second Si site, Si(2) is bonded in a tetrahedral geometry to one S(2) and three equivalent S(6) atoms. There are six inequivalent S sites. In the first S site, S(1) is bonded to three equivalent Pr(1) and one Si(1) atom to form distorted corner-sharing SPr3Si tetrahedra. In the second S site, S(2) is bonded to three equivalent Pr(2) and one Si(2) atom to form distorted corner-sharing SPr3Si tetrahedra. In the third S site, S(3) is bonded to two equivalent Pr(1), two equivalent Pr(2), and one Mn(1) atom to form distorted SPr4Mn trigonal bipyramids that share corners with two equivalent S(1)Pr3Si tetrahedra, corners with two equivalent S(2)Pr3Si tetrahedra,  a cornercorner with one S(4)Pr4Mn trigonal bipyramid, corners with two equivalent S(3)Pr4Mn trigonal bipyramids, edges with two equivalent S(3)Pr4Mn trigonal bipyramids, edges with two equivalent S(4)Pr4Mn trigonal bipyramids, and faces with two equivalent S(4)Pr4Mn trigonal bipyramids. In the fourth S site, S(4) is bonded to two equivalent Pr(1), two equivalent Pr(2), and one Mn(1) atom to form distorted SPr4Mn trigonal bipyramids that share corners with two equivalent S(1)Pr3Si tetrahedra, corners with two equivalent S(2)Pr3Si tetrahedra,  a cornercorner with one S(3)Pr4Mn trigonal bipyramid, corners with two equivalent S(4)Pr4Mn trigonal bipyramids, edges with two equivalent S(3)Pr4Mn trigonal bipyramids, edges with two equivalent S(4)Pr4Mn trigonal bipyramids, and faces with two equivalent S(3)Pr4Mn trigonal bipyramids. In the fifth S site, S(5) is bonded in a distorted rectangular see-saw-like geometry to one Pr(2), two equivalent Pr(1), and one Si(1) atom. In the sixth S site, S(6) is bonded in a distorted rectangular see-saw-like geometry to one Pr(1), two equivalent Pr(2), and one Si(2) atom. is represented by the CIF file [CIF]
data_Pr6Mn(SiS7)2
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   10.294
_cell_length_b   10.294
_cell_length_c   5.736
_cell_angle_alpha   90.000
_cell_angle_beta   90.000
_cell_angle_gamma   120.000
_symmetry_Int_Tables_number   1
_cell_volume   526.380
_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  0.643  0.877  0.250  1.0
  Pr  Pr1  1  0.123  0.766  0.250  1.0
  Pr  Pr2  1  0.234  0.357  0.250  1.0
  Pr  Pr3  1  0.356  0.123  0.752  1.0
  Pr  Pr4  1  0.877  0.234  0.752  1.0
  Pr  Pr5  1  0.766  0.644  0.752  1.0
  Mn  Mn6  1  0.000  0.000  0.489  1.0
  Si  Si7  1  0.333  0.667  0.834  1.0
  Si  Si8  1  0.667  0.333  0.337  1.0
  S  S9  1  0.333  0.667  0.468  1.0
  S  S10  1  0.667  0.333  0.970  1.0
  S  S11  1  0.756  0.916  0.729  1.0
  S  S12  1  0.084  0.840  0.729  1.0
  S  S13  1  0.160  0.244  0.729  1.0
  S  S14  1  0.244  0.082  0.250  1.0
  S  S15  1  0.918  0.162  0.250  1.0
  S  S16  1  0.838  0.756  0.250  1.0
  S  S17  1  0.477  0.592  0.978  1.0
  S  S18  1  0.408  0.886  0.978  1.0
  S  S19  1  0.114  0.523  0.978  1.0
  S  S20  1  0.523  0.409  0.480  1.0
  S  S21  1  0.591  0.114  0.480  1.0
  S  S22  1  0.886  0.477  0.480  1.0
[/CIF]
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The crystal structure described by Pr6Mn(SiS7)2 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(1), one S(6), two equivalent S(3), two equivalent S(4), and two equivalent S(5) atoms. In the second Pr site, Pr(2) is bonded in a 8-coordinate geometry to one S(2), one S(5), two equivalent S(3), two equivalent S(4), and two equivalent S(6) atoms. Mn(1) is bonded in an octahedral geometry to three equivalent S(3) and three equivalent S(4) atoms. There are two inequivalent Si sites. In the first Si site, Si(1) is bonded in a tetrahedral geometry to one S(1) and three equivalent S(5) atoms. In the second Si site, Si(2) is bonded in a tetrahedral geometry to one S(2) and three equivalent S(6) atoms. There are six inequivalent S sites. In the first S site, S(1) is bonded to three equivalent Pr(1) and one Si(1) atom to form distorted corner-sharing SPr3Si tetrahedra. In the second S site, S(2) is bonded to three equivalent Pr(2) and one Si(2) atom to form distorted corner-sharing SPr3Si tetrahedra. In the third S site, S(3) is bonded to two equivalent Pr(1), two equivalent Pr(2), and one Mn(1) atom to form distorted SPr4Mn trigonal bipyramids that share corners with two equivalent S(1)Pr3Si tetrahedra, corners with two equivalent S(2)Pr3Si tetrahedra,  a cornercorner with one S(4)Pr4Mn trigonal bipyramid, corners with two equivalent S(3)Pr4Mn trigonal bipyramids, edges with two equivalent S(3)Pr4Mn trigonal bipyramids, edges with two equivalent S(4)Pr4Mn trigonal bipyramids, and faces with two equivalent S(4)Pr4Mn trigonal bipyramids. In the fourth S site, S(4) is bonded to two equivalent Pr(1), two equivalent Pr(2), and one Mn(1) atom to form distorted SPr4Mn trigonal bipyramids that share corners with two equivalent S(1)Pr3Si tetrahedra, corners with two equivalent S(2)Pr3Si tetrahedra,  a cornercorner with one S(3)Pr4Mn trigonal bipyramid, corners with two equivalent S(4)Pr4Mn trigonal bipyramids, edges with two equivalent S(3)Pr4Mn trigonal bipyramids, edges with two equivalent S(4)Pr4Mn trigonal bipyramids, and faces with two equivalent S(3)Pr4Mn trigonal bipyramids. In the fifth S site, S(5) is bonded in a distorted rectangular see-saw-like geometry to one Pr(2), two equivalent Pr(1), and one Si(1) atom. In the sixth S site, S(6) is bonded in a distorted rectangular see-saw-like geometry to one Pr(1), two equivalent Pr(2), and one Si(2) atom. is represented by the CIF file [CIF]
data_Pr6Mn(SiS7)2
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   10.294
_cell_length_b   10.294
_cell_length_c   5.736
_cell_angle_alpha   90.000
_cell_angle_beta   90.000
_cell_angle_gamma   120.000
_symmetry_Int_Tables_number   1
_cell_volume   526.380
_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  0.643  0.877  0.250  1.0
  Pr  Pr1  1  0.123  0.766  0.250  1.0
  Pr  Pr2  1  0.234  0.357  0.250  1.0
  Pr  Pr3  1  0.356  0.123  0.752  1.0
  Pr  Pr4  1  0.877  0.234  0.752  1.0
  Pr  Pr5  1  0.766  0.644  0.752  1.0
  Mn  Mn6  1  0.000  0.000  0.489  1.0
  Si  Si7  1  0.333  0.667  0.834  1.0
  Si  Si8  1  0.667  0.333  0.337  1.0
  S  S9  1  0.333  0.667  0.468  1.0
  S  S10  1  0.667  0.333  0.970  1.0
  S  S11  1  0.756  0.916  0.729  1.0
  S  S12  1  0.084  0.840  0.729  1.0
  S  S13  1  0.160  0.244  0.729  1.0
  S  S14  1  0.244  0.082  0.250  1.0
  S  S15  1  0.918  0.162  0.250  1.0
  S  S16  1  0.838  0.756  0.250  1.0
  S  S17  1  0.477  0.592  0.978  1.0
  S  S18  1  0.408  0.886  0.978  1.0
  S  S19  1  0.114  0.523  0.978  1.0
  S  S20  1  0.523  0.409  0.480  1.0
  S  S21  1  0.591  0.114  0.480  1.0
  S  S22  1  0.886  0.477  0.480  1.0
[/CIF]
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