The material described by Pr4CoI5 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 Co(1), two equivalent I(2), and three equivalent I(1) atoms to form distorted PrCoI5 octahedra that share  a cornercorner with one Pr(2)Co2I4 octahedra,  a cornercorner with one Pr(1)CoI5 octahedra, edges with four equivalent Pr(2)Co2I4 octahedra, and edges with four equivalent Pr(1)CoI5 octahedra. The corner-sharing octahedral tilt angles range from 0-9°. In the second Pr site, Pr(2) is bonded to two equivalent Co(1), one I(1), one I(2), and two equivalent I(3) atoms to form PrCo2I4 octahedra that share  a cornercorner with one Pr(1)CoI5 octahedra, corners with four equivalent Pr(2)Co2I4 octahedra, edges with four equivalent Pr(2)Co2I4 octahedra, and edges with four equivalent Pr(1)CoI5 octahedra. The corner-sharing octahedral tilt angles range from 0-9°. Co(1) is bonded to two equivalent Pr(1) and four equivalent Pr(2) atoms to form edge-sharing CoPr6 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 Crystallographic Information File (CIF) [CIF]
data_Pr4CoI5
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   10.012
_cell_length_b   10.012
_cell_length_c   9.219
_cell_angle_alpha   76.689
_cell_angle_beta   76.689
_cell_angle_gamma   24.535
_symmetry_Int_Tables_number   1
_cell_volume   372.948
_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  0.861  0.861  0.073  1.0
  Pr  Pr1  1  0.139  0.139  0.927  1.0
  Pr  Pr2  1  0.500  0.500  0.209  1.0
  Pr  Pr3  1  0.500  0.500  0.791  1.0
  Co  Co4  1  0.000  0.000  0.000  1.0
  I  I5  1  0.674  0.674  0.172  1.0
  I  I6  1  0.326  0.326  0.828  1.0
  I  I7  1  0.669  0.669  0.655  1.0
  I  I8  1  0.331  0.331  0.345  1.0
  I  I9  1  0.000  0.000  0.500  1.0
[/CIF]
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The material described by Pr4CoI5 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 Co(1), two equivalent I(2), and three equivalent I(1) atoms to form distorted PrCoI5 octahedra that share  a cornercorner with one Pr(2)Co2I4 octahedra,  a cornercorner with one Pr(1)CoI5 octahedra, edges with four equivalent Pr(2)Co2I4 octahedra, and edges with four equivalent Pr(1)CoI5 octahedra. The corner-sharing octahedral tilt angles range from 0-9°. In the second Pr site, Pr(2) is bonded to two equivalent Co(1), one I(1), one I(2), and two equivalent I(3) atoms to form PrCo2I4 octahedra that share  a cornercorner with one Pr(1)CoI5 octahedra, corners with four equivalent Pr(2)Co2I4 octahedra, edges with four equivalent Pr(2)Co2I4 octahedra, and edges with four equivalent Pr(1)CoI5 octahedra. The corner-sharing octahedral tilt angles range from 0-9°. Co(1) is bonded to two equivalent Pr(1) and four equivalent Pr(2) atoms to form edge-sharing CoPr6 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 Crystallographic Information File (CIF) [CIF]
data_Pr4CoI5
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   10.012
_cell_length_b   10.012
_cell_length_c   9.219
_cell_angle_alpha   76.689
_cell_angle_beta   76.689
_cell_angle_gamma   24.535
_symmetry_Int_Tables_number   1
_cell_volume   372.948
_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  0.861  0.861  0.073  1.0
  Pr  Pr1  1  0.139  0.139  0.927  1.0
  Pr  Pr2  1  0.500  0.500  0.209  1.0
  Pr  Pr3  1  0.500  0.500  0.791  1.0
  Co  Co4  1  0.000  0.000  0.000  1.0
  I  I5  1  0.674  0.674  0.172  1.0
  I  I6  1  0.326  0.326  0.828  1.0
  I  I7  1  0.669  0.669  0.655  1.0
  I  I8  1  0.331  0.331  0.345  1.0
  I  I9  1  0.000  0.000  0.500  1.0
[/CIF]
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