The crystal structure described by Pr4OsI5 crystallizes in the monoclinic C2/m space group. There are two inequivalent Pr sites. In the first Pr site, Pr(1) is bonded to one Os(1), two equivalent I(2), and three equivalent I(1) atoms to form distorted PrOsI5 octahedra that share  a cornercorner with one Pr(2)Os2I4 octahedra,  a cornercorner with one Pr(1)OsI5 octahedra, edges with four equivalent Pr(2)Os2I4 octahedra, and edges with four equivalent Pr(1)OsI5 octahedra. The corner-sharing octahedral tilt angles range from 0-7°. In the second Pr site, Pr(2) is bonded to two equivalent Os(1), one I(1), one I(2), and two equivalent I(3) atoms to form PrOs2I4 octahedra that share  a cornercorner with one Pr(1)OsI5 octahedra, corners with four equivalent Pr(2)Os2I4 octahedra, edges with four equivalent Pr(2)Os2I4 octahedra, and edges with four equivalent Pr(1)OsI5 octahedra. The corner-sharing octahedral tilt angles range from 0-7°. Os(1) is bonded to two equivalent Pr(1) and four equivalent Pr(2) atoms to form edge-sharing OsPr6 octahedra. There are three inequivalent I sites. In the first I site, I(1) is bonded in a distorted see-saw-like geometry to one Pr(2) and three equivalent Pr(1) atoms. In the second I site, I(2) is bonded in a distorted T-shaped geometry to one Pr(2) and two equivalent Pr(1) atoms. In the third I site, I(3) is bonded in a square co-planar geometry to four equivalent Pr(2) atoms. is represented by the CIF card [CIF]
data_Pr4OsI5
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   10.157
_cell_length_b   10.157
_cell_length_c   9.251
_cell_angle_alpha   76.795
_cell_angle_beta   76.795
_cell_angle_gamma   24.676
_symmetry_Int_Tables_number   1
_cell_volume   387.395
_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  0.858  0.858  0.075  1.0
  Pr  Pr1  1  0.142  0.142  0.925  1.0
  Pr  Pr2  1  0.500  0.500  0.212  1.0
  Pr  Pr3  1  0.500  0.500  0.788  1.0
  Os  Os4  1  0.000  0.000  0.000  1.0
  I  I5  1  0.673  0.673  0.169  1.0
  I  I6  1  0.327  0.327  0.831  1.0
  I  I7  1  0.669  0.669  0.658  1.0
  I  I8  1  0.331  0.331  0.342  1.0
  I  I9  1  0.000  0.000  0.500  1.0
[/CIF]
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The crystal structure described by Pr4OsI5 crystallizes in the monoclinic C2/m space group. There are two inequivalent Pr sites. In the first Pr site, Pr(1) is bonded to one Os(1), two equivalent I(2), and three equivalent I(1) atoms to form distorted PrOsI5 octahedra that share  a cornercorner with one Pr(2)Os2I4 octahedra,  a cornercorner with one Pr(1)OsI5 octahedra, edges with four equivalent Pr(2)Os2I4 octahedra, and edges with four equivalent Pr(1)OsI5 octahedra. The corner-sharing octahedral tilt angles range from 0-7°. In the second Pr site, Pr(2) is bonded to two equivalent Os(1), one I(1), one I(2), and two equivalent I(3) atoms to form PrOs2I4 octahedra that share  a cornercorner with one Pr(1)OsI5 octahedra, corners with four equivalent Pr(2)Os2I4 octahedra, edges with four equivalent Pr(2)Os2I4 octahedra, and edges with four equivalent Pr(1)OsI5 octahedra. The corner-sharing octahedral tilt angles range from 0-7°. Os(1) is bonded to two equivalent Pr(1) and four equivalent Pr(2) atoms to form edge-sharing OsPr6 octahedra. There are three inequivalent I sites. In the first I site, I(1) is bonded in a distorted see-saw-like geometry to one Pr(2) and three equivalent Pr(1) atoms. In the second I site, I(2) is bonded in a distorted T-shaped geometry to one Pr(2) and two equivalent Pr(1) atoms. In the third I site, I(3) is bonded in a square co-planar geometry to four equivalent Pr(2) atoms. is represented by the CIF card [CIF]
data_Pr4OsI5
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   10.157
_cell_length_b   10.157
_cell_length_c   9.251
_cell_angle_alpha   76.795
_cell_angle_beta   76.795
_cell_angle_gamma   24.676
_symmetry_Int_Tables_number   1
_cell_volume   387.395
_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  0.858  0.858  0.075  1.0
  Pr  Pr1  1  0.142  0.142  0.925  1.0
  Pr  Pr2  1  0.500  0.500  0.212  1.0
  Pr  Pr3  1  0.500  0.500  0.788  1.0
  Os  Os4  1  0.000  0.000  0.000  1.0
  I  I5  1  0.673  0.673  0.169  1.0
  I  I6  1  0.327  0.327  0.831  1.0
  I  I7  1  0.669  0.669  0.658  1.0
  I  I8  1  0.331  0.331  0.342  1.0
  I  I9  1  0.000  0.000  0.500  1.0
[/CIF]
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