The material structure described by TlIrN6(TlO6)2 crystallizes in the cubic Fm-3m space group. The structure consists of four 7440-28-0 atoms and four iri molecules inside a TlO6 framework. In the TlO6 framework, Tl(1) is bonded in a distorted q4 geometry to twelve equivalent O(1) atoms. O(1) is bonded in a 3-coordinate geometry to two equivalent Tl(1) and one O(1) atom. is represented by the CIF file [CIF]
data_Tl3Ir(NO2)6
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   7.611
_cell_length_b   7.611
_cell_length_c   7.611
_cell_angle_alpha   60.000
_cell_angle_beta   60.000
_cell_angle_gamma   60.000
_symmetry_Int_Tables_number   1
_cell_volume   311.757
_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
  Tl  Tl0  1  0.750  0.750  0.750  1.0
  Tl  Tl1  1  0.250  0.250  0.250  1.0
  Tl  Tl2  1  0.500  0.500  0.500  1.0
  Ir  Ir3  1  0.000  0.000  0.000  1.0
  N  N4  1  0.187  0.187  0.813  1.0
  N  N5  1  0.813  0.187  0.813  1.0
  N  N6  1  0.813  0.813  0.187  1.0
  N  N7  1  0.813  0.187  0.187  1.0
  N  N8  1  0.187  0.813  0.187  1.0
  N  N9  1  0.187  0.813  0.813  1.0
  O  O10  1  0.586  0.414  0.000  1.0
  O  O11  1  0.586  0.000  0.414  1.0
  O  O12  1  0.586  0.000  0.000  1.0
  O  O13  1  0.000  0.000  0.586  1.0
  O  O14  1  0.414  0.000  0.000  1.0
  O  O15  1  0.414  0.000  0.586  1.0
  O  O16  1  0.000  0.414  0.000  1.0
  O  O17  1  0.000  0.000  0.414  1.0
  O  O18  1  0.414  0.586  0.000  1.0
  O  O19  1  0.000  0.586  0.414  1.0
  O  O20  1  0.000  0.414  0.586  1.0
  O  O21  1  0.000  0.586  0.000  1.0
[/CIF]
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The material structure described by TlIrN6(TlO6)2 crystallizes in the cubic Fm-3m space group. The structure consists of four 7440-28-0 atoms and four iri molecules inside a TlO6 framework. In the TlO6 framework, Tl(1) is bonded in a distorted q4 geometry to twelve equivalent O(1) atoms. O(1) is bonded in a 3-coordinate geometry to two equivalent Tl(1) and one O(1) atom. is represented by the CIF file [CIF]
data_Tl3Ir(NO2)6
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   7.611
_cell_length_b   7.611
_cell_length_c   7.611
_cell_angle_alpha   60.000
_cell_angle_beta   60.000
_cell_angle_gamma   60.000
_symmetry_Int_Tables_number   1
_cell_volume   311.757
_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
  Tl  Tl0  1  0.750  0.750  0.750  1.0
  Tl  Tl1  1  0.250  0.250  0.250  1.0
  Tl  Tl2  1  0.500  0.500  0.500  1.0
  Ir  Ir3  1  0.000  0.000  0.000  1.0
  N  N4  1  0.187  0.187  0.813  1.0
  N  N5  1  0.813  0.187  0.813  1.0
  N  N6  1  0.813  0.813  0.187  1.0
  N  N7  1  0.813  0.187  0.187  1.0
  N  N8  1  0.187  0.813  0.187  1.0
  N  N9  1  0.187  0.813  0.813  1.0
  O  O10  1  0.586  0.414  0.000  1.0
  O  O11  1  0.586  0.000  0.414  1.0
  O  O12  1  0.586  0.000  0.000  1.0
  O  O13  1  0.000  0.000  0.586  1.0
  O  O14  1  0.414  0.000  0.000  1.0
  O  O15  1  0.414  0.000  0.586  1.0
  O  O16  1  0.000  0.414  0.000  1.0
  O  O17  1  0.000  0.000  0.414  1.0
  O  O18  1  0.414  0.586  0.000  1.0
  O  O19  1  0.000  0.586  0.414  1.0
  O  O20  1  0.000  0.414  0.586  1.0
  O  O21  1  0.000  0.586  0.000  1.0
[/CIF]
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