The crystal structure described by Pr3I3Os crystallizes in the monoclinic P2_1/m space group. There are three inequivalent Pr sites. In the first Pr site, Pr(1) is bonded to two equivalent Os(1), one I(3), and three equivalent I(1) atoms to form distorted PrOs2I4 octahedra that share corners with four equivalent Pr(3)Os3I3 octahedra, edges with four equivalent Pr(1)Os2I4 octahedra, and edges with four equivalent Pr(3)Os3I3 octahedra. The corner-sharing octahedral tilt angles range from 3-8°. In the second Pr site, Pr(2) is bonded in a 6-coordinate geometry to one Os(1), two equivalent I(3), and three equivalent I(2) atoms. In the third Pr site, Pr(3) is bonded to three equivalent Os(1), one I(2), and two equivalent I(1) atoms to form PrOs3I3 octahedra that share corners with four equivalent Pr(1)Os2I4 octahedra, edges with four equivalent Pr(1)Os2I4 octahedra, and edges with four equivalent Pr(3)Os3I3 octahedra. The corner-sharing octahedral tilt angles range from 3-8°. Os(1) is bonded to one Pr(2), two equivalent Pr(1), and three equivalent Pr(3) atoms to form OsPr6 octahedra that share corners with four equivalent I(1)Pr5 trigonal bipyramids, edges with four equivalent Os(1)Pr6 octahedra, and edges with four equivalent I(1)Pr5 trigonal bipyramids. There are three inequivalent I sites. In the first I site, I(1) is bonded to two equivalent Pr(3) and three equivalent Pr(1) atoms to form distorted IPr5 trigonal bipyramids that share corners with four equivalent Os(1)Pr6 octahedra, edges with four equivalent Os(1)Pr6 octahedra, and edges with four equivalent I(1)Pr5 trigonal bipyramids. The corner-sharing octahedral tilt angles range from 12-13°. In the second I site, I(2) is bonded in a distorted see-saw-like geometry to one Pr(3) and three equivalent Pr(2) atoms. In the third I site, I(3) is bonded in a distorted T-shaped geometry to one Pr(1) and two equivalent Pr(2) atoms. is represented by the CIF card [CIF]
data_Pr3OsI3
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   4.360
_cell_length_b   9.336
_cell_length_c   12.671
_cell_angle_alpha   92.947
_cell_angle_beta   90.000
_cell_angle_gamma   90.000
_symmetry_Int_Tables_number   1
_cell_volume   515.166
_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  0.750  0.308  0.119  1.0
  Pr  Pr1  1  0.250  0.117  0.331  1.0
  Pr  Pr2  1  0.250  0.692  0.881  1.0
  Pr  Pr3  1  0.250  0.097  0.890  1.0
  Pr  Pr4  1  0.750  0.883  0.669  1.0
  Pr  Pr5  1  0.750  0.903  0.110  1.0
  Os  Os6  1  0.250  0.109  0.120  1.0
  Os  Os7  1  0.750  0.891  0.880  1.0
  I  I8  1  0.250  0.604  0.133  1.0
  I  I9  1  0.750  0.867  0.383  1.0
  I  I10  1  0.750  0.396  0.867  1.0
  I  I11  1  0.250  0.631  0.624  1.0
  I  I12  1  0.750  0.369  0.376  1.0
  I  I13  1  0.250  0.133  0.617  1.0
[/CIF]
.
The crystal structure described by Pr3I3Os crystallizes in the monoclinic P2_1/m space group. There are three inequivalent Pr sites. In the first Pr site, Pr(1) is bonded to two equivalent Os(1), one I(3), and three equivalent I(1) atoms to form distorted PrOs2I4 octahedra that share corners with four equivalent Pr(3)Os3I3 octahedra, edges with four equivalent Pr(1)Os2I4 octahedra, and edges with four equivalent Pr(3)Os3I3 octahedra. The corner-sharing octahedral tilt angles range from 3-8°. In the second Pr site, Pr(2) is bonded in a 6-coordinate geometry to one Os(1), two equivalent I(3), and three equivalent I(2) atoms. In the third Pr site, Pr(3) is bonded to three equivalent Os(1), one I(2), and two equivalent I(1) atoms to form PrOs3I3 octahedra that share corners with four equivalent Pr(1)Os2I4 octahedra, edges with four equivalent Pr(1)Os2I4 octahedra, and edges with four equivalent Pr(3)Os3I3 octahedra. The corner-sharing octahedral tilt angles range from 3-8°. Os(1) is bonded to one Pr(2), two equivalent Pr(1), and three equivalent Pr(3) atoms to form OsPr6 octahedra that share corners with four equivalent I(1)Pr5 trigonal bipyramids, edges with four equivalent Os(1)Pr6 octahedra, and edges with four equivalent I(1)Pr5 trigonal bipyramids. There are three inequivalent I sites. In the first I site, I(1) is bonded to two equivalent Pr(3) and three equivalent Pr(1) atoms to form distorted IPr5 trigonal bipyramids that share corners with four equivalent Os(1)Pr6 octahedra, edges with four equivalent Os(1)Pr6 octahedra, and edges with four equivalent I(1)Pr5 trigonal bipyramids. The corner-sharing octahedral tilt angles range from 12-13°. In the second I site, I(2) is bonded in a distorted see-saw-like geometry to one Pr(3) and three equivalent Pr(2) atoms. In the third I site, I(3) is bonded in a distorted T-shaped geometry to one Pr(1) and two equivalent Pr(2) atoms. is represented by the CIF card [CIF]
data_Pr3OsI3
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   4.360
_cell_length_b   9.336
_cell_length_c   12.671
_cell_angle_alpha   92.947
_cell_angle_beta   90.000
_cell_angle_gamma   90.000
_symmetry_Int_Tables_number   1
_cell_volume   515.166
_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  0.750  0.308  0.119  1.0
  Pr  Pr1  1  0.250  0.117  0.331  1.0
  Pr  Pr2  1  0.250  0.692  0.881  1.0
  Pr  Pr3  1  0.250  0.097  0.890  1.0
  Pr  Pr4  1  0.750  0.883  0.669  1.0
  Pr  Pr5  1  0.750  0.903  0.110  1.0
  Os  Os6  1  0.250  0.109  0.120  1.0
  Os  Os7  1  0.750  0.891  0.880  1.0
  I  I8  1  0.250  0.604  0.133  1.0
  I  I9  1  0.750  0.867  0.383  1.0
  I  I10  1  0.750  0.396  0.867  1.0
  I  I11  1  0.250  0.631  0.624  1.0
  I  I12  1  0.750  0.369  0.376  1.0
  I  I13  1  0.250  0.133  0.617  1.0
[/CIF]
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