The material structure described by Pr3AsS5Cl2 crystallizes in the monoclinic Cc space group. There are three inequivalent Pr sites. In the first Pr site, Pr(1) is bonded in a 8-coordinate geometry to one S(5), two equivalent S(1), two equivalent S(2), one Cl(1), and two equivalent Cl(2) atoms. In the second Pr site, Pr(2) is bonded in a 8-coordinate geometry to one S(4), two equivalent S(1), two equivalent S(3), one Cl(2), and two equivalent Cl(1) atoms. In the third Pr site, Pr(3) is bonded in a 7-coordinate geometry to one S(3), two equivalent S(2), two equivalent S(4), and two equivalent S(5) atoms. As(1) is bonded in a 3-coordinate geometry to one S(3), one S(4), and one S(5) atom. There are five inequivalent S sites. In the first S site, S(1) is bonded to two equivalent Pr(1) and two equivalent Pr(2) atoms to form SPr4 tetrahedra that share corners with two equivalent S(2)Pr4 tetrahedra, corners with two equivalent S(4)Pr3As trigonal pyramids, corners with two equivalent S(5)Pr3As trigonal pyramids,  an edgeedge with one S(2)Pr4 tetrahedra, and edges with two equivalent S(1)Pr4 tetrahedra. In the second S site, S(2) is bonded to two equivalent Pr(1) and two equivalent Pr(3) atoms to form SPr4 tetrahedra that share corners with two equivalent S(1)Pr4 tetrahedra, corners with two equivalent S(4)Pr3As trigonal pyramids, corners with four equivalent S(5)Pr3As trigonal pyramids,  an edgeedge with one S(1)Pr4 tetrahedra, edges with two equivalent S(2)Pr4 tetrahedra,  an edgeedge with one S(4)Pr3As trigonal pyramid, and  an edgeedge with one S(5)Pr3As trigonal pyramid. In the third S site, S(3) is bonded in a distorted see-saw-like geometry to one Pr(3), two equivalent Pr(2), and one As(1) atom. In the fourth S site, S(4) is bonded to one Pr(2), two equivalent Pr(3), and one As(1) atom to form SPr3As trigonal pyramids that share corners with two equivalent S(1)Pr4 tetrahedra, corners with two equivalent S(2)Pr4 tetrahedra, corners with two equivalent S(4)Pr3As trigonal pyramids, corners with three equivalent S(5)Pr3As trigonal pyramids,  an edgeedge with one S(2)Pr4 tetrahedra, and  an edgeedge with one S(5)Pr3As trigonal pyramid. In the fifth S site, S(5) is bonded to one Pr(1), two equivalent Pr(3), and one As(1) atom to form distorted SPr3As trigonal pyramids that share corners with two equivalent S(1)Pr4 tetrahedra, corners with four equivalent S(2)Pr4 tetrahedra, corners with two equivalent S(5)Pr3As trigonal pyramids, corners with three equivalent S(4)Pr3As trigonal pyramids,  an edgeedge with one S(2)Pr4 tetrahedra, and  an edgeedge with one S(4)Pr3As trigonal pyramid. There are two inequivalent Cl sites. In the first Cl site, Cl(1) is bonded in a 3-coordinate geometry to one Pr(1) and two equivalent Pr(2) atoms. In the second Cl site, Cl(2) is bonded in a 3-coordinate geometry to one Pr(2) and two equivalent Pr(1) atoms. is represented by the Crystallographic Information File (CIF) [CIF]
data_Pr3AsS5Cl2
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   11.635
_cell_length_b   11.635
_cell_length_c   7.114
_cell_angle_alpha   81.590
_cell_angle_beta   81.590
_cell_angle_gamma   34.956
_symmetry_Int_Tables_number   1
_cell_volume   545.253
_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  0.293  0.707  0.499  1.0
  Pr  Pr1  1  0.707  0.293  0.999  1.0
  Pr  Pr2  1  0.857  0.438  0.515  1.0
  Pr  Pr3  1  0.438  0.857  0.015  1.0
  Pr  Pr4  1  0.146  0.549  0.152  1.0
  Pr  Pr5  1  0.549  0.146  0.652  1.0
  As  As6  1  0.992  0.610  0.707  1.0
  As  As7  1  0.610  0.992  0.207  1.0
  S  S8  1  0.632  0.521  0.254  1.0
  S  S9  1  0.521  0.632  0.754  1.0
  S  S10  1  0.363  0.478  0.821  1.0
  S  S11  1  0.478  0.363  0.321  1.0
  S  S12  1  0.787  0.680  0.178  1.0
  S  S13  1  0.680  0.787  0.678  1.0
  S  S14  1  0.185  0.347  0.518  1.0
  S  S15  1  0.347  0.185  0.018  1.0
  S  S16  1  0.953  0.803  0.482  1.0
  S  S17  1  0.803  0.953  0.982  1.0
  Cl  Cl18  1  0.031  0.233  0.881  1.0
  Cl  Cl19  1  0.233  0.031  0.381  1.0
  Cl  Cl20  1  0.898  0.117  0.632  1.0
  Cl  Cl21  1  0.117  0.898  0.132  1.0
[/CIF]
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The material structure described by Pr3AsS5Cl2 crystallizes in the monoclinic Cc space group. There are three inequivalent Pr sites. In the first Pr site, Pr(1) is bonded in a 8-coordinate geometry to one S(5), two equivalent S(1), two equivalent S(2), one Cl(1), and two equivalent Cl(2) atoms. In the second Pr site, Pr(2) is bonded in a 8-coordinate geometry to one S(4), two equivalent S(1), two equivalent S(3), one Cl(2), and two equivalent Cl(1) atoms. In the third Pr site, Pr(3) is bonded in a 7-coordinate geometry to one S(3), two equivalent S(2), two equivalent S(4), and two equivalent S(5) atoms. As(1) is bonded in a 3-coordinate geometry to one S(3), one S(4), and one S(5) atom. There are five inequivalent S sites. In the first S site, S(1) is bonded to two equivalent Pr(1) and two equivalent Pr(2) atoms to form SPr4 tetrahedra that share corners with two equivalent S(2)Pr4 tetrahedra, corners with two equivalent S(4)Pr3As trigonal pyramids, corners with two equivalent S(5)Pr3As trigonal pyramids,  an edgeedge with one S(2)Pr4 tetrahedra, and edges with two equivalent S(1)Pr4 tetrahedra. In the second S site, S(2) is bonded to two equivalent Pr(1) and two equivalent Pr(3) atoms to form SPr4 tetrahedra that share corners with two equivalent S(1)Pr4 tetrahedra, corners with two equivalent S(4)Pr3As trigonal pyramids, corners with four equivalent S(5)Pr3As trigonal pyramids,  an edgeedge with one S(1)Pr4 tetrahedra, edges with two equivalent S(2)Pr4 tetrahedra,  an edgeedge with one S(4)Pr3As trigonal pyramid, and  an edgeedge with one S(5)Pr3As trigonal pyramid. In the third S site, S(3) is bonded in a distorted see-saw-like geometry to one Pr(3), two equivalent Pr(2), and one As(1) atom. In the fourth S site, S(4) is bonded to one Pr(2), two equivalent Pr(3), and one As(1) atom to form SPr3As trigonal pyramids that share corners with two equivalent S(1)Pr4 tetrahedra, corners with two equivalent S(2)Pr4 tetrahedra, corners with two equivalent S(4)Pr3As trigonal pyramids, corners with three equivalent S(5)Pr3As trigonal pyramids,  an edgeedge with one S(2)Pr4 tetrahedra, and  an edgeedge with one S(5)Pr3As trigonal pyramid. In the fifth S site, S(5) is bonded to one Pr(1), two equivalent Pr(3), and one As(1) atom to form distorted SPr3As trigonal pyramids that share corners with two equivalent S(1)Pr4 tetrahedra, corners with four equivalent S(2)Pr4 tetrahedra, corners with two equivalent S(5)Pr3As trigonal pyramids, corners with three equivalent S(4)Pr3As trigonal pyramids,  an edgeedge with one S(2)Pr4 tetrahedra, and  an edgeedge with one S(4)Pr3As trigonal pyramid. There are two inequivalent Cl sites. In the first Cl site, Cl(1) is bonded in a 3-coordinate geometry to one Pr(1) and two equivalent Pr(2) atoms. In the second Cl site, Cl(2) is bonded in a 3-coordinate geometry to one Pr(2) and two equivalent Pr(1) atoms. is represented by the Crystallographic Information File (CIF) [CIF]
data_Pr3AsS5Cl2
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   11.635
_cell_length_b   11.635
_cell_length_c   7.114
_cell_angle_alpha   81.590
_cell_angle_beta   81.590
_cell_angle_gamma   34.956
_symmetry_Int_Tables_number   1
_cell_volume   545.253
_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  0.293  0.707  0.499  1.0
  Pr  Pr1  1  0.707  0.293  0.999  1.0
  Pr  Pr2  1  0.857  0.438  0.515  1.0
  Pr  Pr3  1  0.438  0.857  0.015  1.0
  Pr  Pr4  1  0.146  0.549  0.152  1.0
  Pr  Pr5  1  0.549  0.146  0.652  1.0
  As  As6  1  0.992  0.610  0.707  1.0
  As  As7  1  0.610  0.992  0.207  1.0
  S  S8  1  0.632  0.521  0.254  1.0
  S  S9  1  0.521  0.632  0.754  1.0
  S  S10  1  0.363  0.478  0.821  1.0
  S  S11  1  0.478  0.363  0.321  1.0
  S  S12  1  0.787  0.680  0.178  1.0
  S  S13  1  0.680  0.787  0.678  1.0
  S  S14  1  0.185  0.347  0.518  1.0
  S  S15  1  0.347  0.185  0.018  1.0
  S  S16  1  0.953  0.803  0.482  1.0
  S  S17  1  0.803  0.953  0.982  1.0
  Cl  Cl18  1  0.031  0.233  0.881  1.0
  Cl  Cl19  1  0.233  0.031  0.381  1.0
  Cl  Cl20  1  0.898  0.117  0.632  1.0
  Cl  Cl21  1  0.117  0.898  0.132  1.0
[/CIF]
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