The material described by Pr3IrBr3 crystallizes in the cubic I4_132 space group. Pr(1) is bonded to two equivalent Ir(1) and four equivalent Br(1) atoms to form a mixture of corner and edge-sharing PrIr2Br4 octahedra. The corner-sharing octahedral tilt angles range from 5-8°. Ir(1) is bonded to six equivalent Pr(1) atoms to form edge-sharing IrPr6 octahedra. Br(1) is bonded in a rectangular see-saw-like geometry to four equivalent Pr(1) atoms. is represented by the CIF card [CIF]
data_Pr3IrBr3
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   10.501
_cell_length_b   10.500
_cell_length_c   10.500
_cell_angle_alpha   109.468
_cell_angle_beta   109.471
_cell_angle_gamma   109.475
_symmetry_Int_Tables_number   1
_cell_volume   891.193
_cell_formula_units_Z   4
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  0.470  0.485  0.235  1.0
  Pr  Pr1  1  0.750  0.235  0.265  1.0
  Pr  Pr2  1  0.750  0.015  0.485  1.0
  Pr  Pr3  1  0.235  0.470  0.485  1.0
  Pr  Pr4  1  0.265  0.750  0.235  1.0
  Pr  Pr5  1  0.030  0.265  0.015  1.0
  Pr  Pr6  1  0.015  0.030  0.265  1.0
  Pr  Pr7  1  0.485  0.750  0.015  1.0
  Pr  Pr8  1  0.485  0.235  0.469  1.0
  Pr  Pr9  1  0.015  0.485  0.750  1.0
  Pr  Pr10  1  0.265  0.015  0.031  1.0
  Pr  Pr11  1  0.235  0.265  0.750  1.0
  Ir  Ir12  1  0.250  0.250  0.250  1.0
  Ir  Ir13  1  0.500  0.000  0.250  1.0
  Ir  Ir14  1  1.000  0.250  0.500  1.0
  Ir  Ir15  1  0.250  0.500  0.000  1.0
  Br  Br16  1  0.250  0.756  0.744  1.0
  Br  Br17  1  0.512  0.506  0.756  1.0
  Br  Br18  1  0.988  0.744  0.994  1.0
  Br  Br19  1  0.744  0.250  0.756  1.0
  Br  Br20  1  0.994  0.988  0.744  1.0
  Br  Br21  1  0.250  0.994  0.506  1.0
  Br  Br22  1  0.756  0.512  0.506  1.0
  Br  Br23  1  0.506  0.250  0.994  1.0
  Br  Br24  1  0.756  0.744  0.250  1.0
  Br  Br25  1  0.744  0.994  0.988  1.0
  Br  Br26  1  0.994  0.506  0.250  1.0
  Br  Br27  1  0.506  0.756  0.512  1.0
[/CIF]
.
The material described by Pr3IrBr3 crystallizes in the cubic I4_132 space group. Pr(1) is bonded to two equivalent Ir(1) and four equivalent Br(1) atoms to form a mixture of corner and edge-sharing PrIr2Br4 octahedra. The corner-sharing octahedral tilt angles range from 5-8°. Ir(1) is bonded to six equivalent Pr(1) atoms to form edge-sharing IrPr6 octahedra. Br(1) is bonded in a rectangular see-saw-like geometry to four equivalent Pr(1) atoms. is represented by the CIF card [CIF]
data_Pr3IrBr3
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   10.501
_cell_length_b   10.500
_cell_length_c   10.500
_cell_angle_alpha   109.468
_cell_angle_beta   109.471
_cell_angle_gamma   109.475
_symmetry_Int_Tables_number   1
_cell_volume   891.193
_cell_formula_units_Z   4
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  0.470  0.485  0.235  1.0
  Pr  Pr1  1  0.750  0.235  0.265  1.0
  Pr  Pr2  1  0.750  0.015  0.485  1.0
  Pr  Pr3  1  0.235  0.470  0.485  1.0
  Pr  Pr4  1  0.265  0.750  0.235  1.0
  Pr  Pr5  1  0.030  0.265  0.015  1.0
  Pr  Pr6  1  0.015  0.030  0.265  1.0
  Pr  Pr7  1  0.485  0.750  0.015  1.0
  Pr  Pr8  1  0.485  0.235  0.469  1.0
  Pr  Pr9  1  0.015  0.485  0.750  1.0
  Pr  Pr10  1  0.265  0.015  0.031  1.0
  Pr  Pr11  1  0.235  0.265  0.750  1.0
  Ir  Ir12  1  0.250  0.250  0.250  1.0
  Ir  Ir13  1  0.500  0.000  0.250  1.0
  Ir  Ir14  1  1.000  0.250  0.500  1.0
  Ir  Ir15  1  0.250  0.500  0.000  1.0
  Br  Br16  1  0.250  0.756  0.744  1.0
  Br  Br17  1  0.512  0.506  0.756  1.0
  Br  Br18  1  0.988  0.744  0.994  1.0
  Br  Br19  1  0.744  0.250  0.756  1.0
  Br  Br20  1  0.994  0.988  0.744  1.0
  Br  Br21  1  0.250  0.994  0.506  1.0
  Br  Br22  1  0.756  0.512  0.506  1.0
  Br  Br23  1  0.506  0.250  0.994  1.0
  Br  Br24  1  0.756  0.744  0.250  1.0
  Br  Br25  1  0.744  0.994  0.988  1.0
  Br  Br26  1  0.994  0.506  0.250  1.0
  Br  Br27  1  0.506  0.756  0.512  1.0
[/CIF]
.