The compound described by Pr4RuI5 crystallizes in the monoclinic C2/m space group. There are two inequivalent Pr sites. In the first Pr site, Pr(1) is bonded in a 6-coordinate geometry to one Ru(1), two equivalent I(3), and three equivalent I(2) atoms. In the second Pr site, Pr(2) is bonded to two equivalent Ru(1), one I(2), one I(3), and two equivalent I(1) atoms to form a mixture of corner and edge-sharing PrRu2I4 octahedra. The corner-sharing octahedra are not tilted. Ru(1) is bonded to two equivalent Pr(1) and four equivalent Pr(2) atoms to form edge-sharing RuPr6 octahedra. There are three inequivalent I sites. In the first I site, I(1) is bonded in a square co-planar geometry to four equivalent Pr(2) atoms. In the second I site, I(2) is bonded in a distorted see-saw-like geometry to one Pr(2) and three equivalent Pr(1) atoms. In the third I site, I(3) is bonded in a distorted T-shaped geometry to one Pr(2) and two equivalent Pr(1) atoms. is represented by the CIF file [CIF]
data_Pr4RuI5
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   4.304
_cell_length_b   9.362
_cell_length_c   10.065
_cell_angle_alpha   103.956
_cell_angle_beta   102.345
_cell_angle_gamma   90.000
_symmetry_Int_Tables_number   1
_cell_volume   383.901
_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  0.360  0.927  0.721  1.0
  Pr  Pr1  1  0.640  0.073  0.279  1.0
  Pr  Pr2  1  0.000  0.214  0.000  1.0
  Pr  Pr3  1  1.000  0.786  1.000  1.0
  Ru  Ru4  1  0.500  0.000  0.000  1.0
  I  I5  1  0.500  0.500  0.000  1.0
  I  I6  1  0.173  0.831  0.345  1.0
  I  I7  1  0.827  0.169  0.655  1.0
  I  I8  1  0.831  0.657  0.662  1.0
  I  I9  1  0.169  0.343  0.338  1.0
[/CIF]
.
The compound described by Pr4RuI5 crystallizes in the monoclinic C2/m space group. There are two inequivalent Pr sites. In the first Pr site, Pr(1) is bonded in a 6-coordinate geometry to one Ru(1), two equivalent I(3), and three equivalent I(2) atoms. In the second Pr site, Pr(2) is bonded to two equivalent Ru(1), one I(2), one I(3), and two equivalent I(1) atoms to form a mixture of corner and edge-sharing PrRu2I4 octahedra. The corner-sharing octahedra are not tilted. Ru(1) is bonded to two equivalent Pr(1) and four equivalent Pr(2) atoms to form edge-sharing RuPr6 octahedra. There are three inequivalent I sites. In the first I site, I(1) is bonded in a square co-planar geometry to four equivalent Pr(2) atoms. In the second I site, I(2) is bonded in a distorted see-saw-like geometry to one Pr(2) and three equivalent Pr(1) atoms. In the third I site, I(3) is bonded in a distorted T-shaped geometry to one Pr(2) and two equivalent Pr(1) atoms. is represented by the CIF file [CIF]
data_Pr4RuI5
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   4.304
_cell_length_b   9.362
_cell_length_c   10.065
_cell_angle_alpha   103.956
_cell_angle_beta   102.345
_cell_angle_gamma   90.000
_symmetry_Int_Tables_number   1
_cell_volume   383.901
_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  0.360  0.927  0.721  1.0
  Pr  Pr1  1  0.640  0.073  0.279  1.0
  Pr  Pr2  1  0.000  0.214  0.000  1.0
  Pr  Pr3  1  1.000  0.786  1.000  1.0
  Ru  Ru4  1  0.500  0.000  0.000  1.0
  I  I5  1  0.500  0.500  0.000  1.0
  I  I6  1  0.173  0.831  0.345  1.0
  I  I7  1  0.827  0.169  0.655  1.0
  I  I8  1  0.831  0.657  0.662  1.0
  I  I9  1  0.169  0.343  0.338  1.0
[/CIF]
.