The material described by IrF3 is Upper Bainite-like structured and crystallizes in the trigonal R-3c space group. Ir(1) is bonded to six equivalent F(1) atoms to form corner-sharing IrF6 octahedra. The corner-sharing octahedral tilt angles are 50°. F(1) is bonded in a bent 120 degrees geometry to two equivalent Ir(1) atoms. is represented by the Crystallographic Information File (CIF) [CIF]
data_IrF3
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   5.394
_cell_length_b   5.394
_cell_length_c   5.394
_cell_angle_alpha   54.730
_cell_angle_beta   54.730
_cell_angle_gamma   54.730
_symmetry_Int_Tables_number   1
_cell_volume   97.358
_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
  Ir  Ir0  1  0.500  0.500  0.500  1.0
  Ir  Ir1  1  0.000  0.000  0.000  1.0
  F  F2  1  0.421  0.750  0.079  1.0
  F  F3  1  0.750  0.079  0.421  1.0
  F  F4  1  0.921  0.579  0.250  1.0
  F  F5  1  0.250  0.921  0.579  1.0
  F  F6  1  0.579  0.250  0.921  1.0
  F  F7  1  0.079  0.421  0.750  1.0
[/CIF]
.
The material described by IrF3 is Upper Bainite-like structured and crystallizes in the trigonal R-3c space group. Ir(1) is bonded to six equivalent F(1) atoms to form corner-sharing IrF6 octahedra. The corner-sharing octahedral tilt angles are 50°. F(1) is bonded in a bent 120 degrees geometry to two equivalent Ir(1) atoms. is represented by the Crystallographic Information File (CIF) [CIF]
data_IrF3
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   5.394
_cell_length_b   5.394
_cell_length_c   5.394
_cell_angle_alpha   54.730
_cell_angle_beta   54.730
_cell_angle_gamma   54.730
_symmetry_Int_Tables_number   1
_cell_volume   97.358
_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
  Ir  Ir0  1  0.500  0.500  0.500  1.0
  Ir  Ir1  1  0.000  0.000  0.000  1.0
  F  F2  1  0.421  0.750  0.079  1.0
  F  F3  1  0.750  0.079  0.421  1.0
  F  F4  1  0.921  0.579  0.250  1.0
  F  F5  1  0.250  0.921  0.579  1.0
  F  F6  1  0.579  0.250  0.921  1.0
  F  F7  1  0.079  0.421  0.750  1.0
[/CIF]
.