The structure described by Rb3IrF6 is (Cubic) Perovskite-like structured and crystallizes in the cubic Fm-3m space group. There are two inequivalent Rb sites. In the first Rb site, Rb(1) is bonded to twelve equivalent F(1) atoms to form RbF12 cuboctahedra that share corners with twelve equivalent Rb(1)F12 cuboctahedra, faces with six equivalent Rb(1)F12 cuboctahedra, faces with four equivalent Rb(2)F6 octahedra, and faces with four equivalent Ir(1)F6 octahedra. In the second Rb site, Rb(2) is bonded to six equivalent F(1) atoms to form RbF6 octahedra that share corners with six equivalent Ir(1)F6 octahedra and faces with eight equivalent Rb(1)F12 cuboctahedra. The corner-sharing octahedra are not tilted. Ir(1) is bonded to six equivalent F(1) atoms to form IrF6 octahedra that share corners with six equivalent Rb(2)F6 octahedra and faces with eight equivalent Rb(1)F12 cuboctahedra. The corner-sharing octahedra are not tilted. F(1) is bonded in a distorted linear geometry to one Rb(2), four equivalent Rb(1), and one Ir(1) atom. is represented by the Crystallographic Information File (CIF) [CIF]
data_Rb3IrF6
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   6.600
_cell_length_b   6.600
_cell_length_c   6.600
_cell_angle_alpha   60.000
_cell_angle_beta   60.000
_cell_angle_gamma   60.000
_symmetry_Int_Tables_number   1
_cell_volume   203.255
_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
  Rb  Rb0  1  0.250  0.250  0.250  1.0
  Rb  Rb1  1  0.750  0.750  0.750  1.0
  Rb  Rb2  1  0.500  0.500  0.500  1.0
  Ir  Ir3  1  0.000  0.000  0.000  1.0
  F  F4  1  0.218  0.218  0.782  1.0
  F  F5  1  0.218  0.782  0.782  1.0
  F  F6  1  0.782  0.782  0.218  1.0
  F  F7  1  0.218  0.782  0.218  1.0
  F  F8  1  0.782  0.218  0.782  1.0
  F  F9  1  0.782  0.218  0.218  1.0
[/CIF]
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The structure described by Rb3IrF6 is (Cubic) Perovskite-like structured and crystallizes in the cubic Fm-3m space group. There are two inequivalent Rb sites. In the first Rb site, Rb(1) is bonded to twelve equivalent F(1) atoms to form RbF12 cuboctahedra that share corners with twelve equivalent Rb(1)F12 cuboctahedra, faces with six equivalent Rb(1)F12 cuboctahedra, faces with four equivalent Rb(2)F6 octahedra, and faces with four equivalent Ir(1)F6 octahedra. In the second Rb site, Rb(2) is bonded to six equivalent F(1) atoms to form RbF6 octahedra that share corners with six equivalent Ir(1)F6 octahedra and faces with eight equivalent Rb(1)F12 cuboctahedra. The corner-sharing octahedra are not tilted. Ir(1) is bonded to six equivalent F(1) atoms to form IrF6 octahedra that share corners with six equivalent Rb(2)F6 octahedra and faces with eight equivalent Rb(1)F12 cuboctahedra. The corner-sharing octahedra are not tilted. F(1) is bonded in a distorted linear geometry to one Rb(2), four equivalent Rb(1), and one Ir(1) atom. is represented by the Crystallographic Information File (CIF) [CIF]
data_Rb3IrF6
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   6.600
_cell_length_b   6.600
_cell_length_c   6.600
_cell_angle_alpha   60.000
_cell_angle_beta   60.000
_cell_angle_gamma   60.000
_symmetry_Int_Tables_number   1
_cell_volume   203.255
_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
  Rb  Rb0  1  0.250  0.250  0.250  1.0
  Rb  Rb1  1  0.750  0.750  0.750  1.0
  Rb  Rb2  1  0.500  0.500  0.500  1.0
  Ir  Ir3  1  0.000  0.000  0.000  1.0
  F  F4  1  0.218  0.218  0.782  1.0
  F  F5  1  0.218  0.782  0.782  1.0
  F  F6  1  0.782  0.782  0.218  1.0
  F  F7  1  0.218  0.782  0.218  1.0
  F  F8  1  0.782  0.218  0.782  1.0
  F  F9  1  0.782  0.218  0.218  1.0
[/CIF]
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