The material structure described by RbK2TiF6 is (Cubic) Perovskite-derived structured and crystallizes in the tetragonal I4/mmm space group. Rb(1) is bonded to two equivalent F(2) and four equivalent F(1) atoms to form RbF6 octahedra that share corners with six equivalent Ti(1)F6 octahedra and faces with eight equivalent K(1)F12 cuboctahedra. The corner-sharing octahedra are not tilted. K(1) is bonded to four equivalent F(2) and eight equivalent F(1) atoms to form distorted KF12 cuboctahedra that share corners with twelve equivalent K(1)F12 cuboctahedra, faces with six equivalent K(1)F12 cuboctahedra, faces with four equivalent Rb(1)F6 octahedra, and faces with four equivalent Ti(1)F6 octahedra. Ti(1) is bonded to two equivalent F(2) and four equivalent F(1) atoms to form TiF6 octahedra that share corners with six equivalent Rb(1)F6 octahedra and faces with eight equivalent K(1)F12 cuboctahedra. The corner-sharing octahedra are not tilted. There are two inequivalent F sites. In the first F site, F(1) is bonded in a distorted linear geometry to one Rb(1), four equivalent K(1), and one Ti(1) atom. In the second F site, F(2) is bonded in a distorted linear geometry to one Rb(1), four equivalent K(1), and one Ti(1) atom. is represented by the CIF file [CIF]
data_K2RbTiF6
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   6.416
_cell_length_b   6.469
_cell_length_c   6.416
_cell_angle_alpha   59.730
_cell_angle_beta   60.541
_cell_angle_gamma   59.729
_symmetry_Int_Tables_number   1
_cell_volume   188.269
_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
  K  K0  1  0.250  0.250  0.250  1.0
  K  K1  1  0.750  0.750  0.750  1.0
  Rb  Rb2  1  0.500  0.500  0.500  1.0
  Ti  Ti3  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  0.214  0.786  0.214  1.0
  F  F8  1  0.786  0.214  0.786  1.0
  F  F9  1  0.782  0.218  0.218  1.0
[/CIF]
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The material structure described by RbK2TiF6 is (Cubic) Perovskite-derived structured and crystallizes in the tetragonal I4/mmm space group. Rb(1) is bonded to two equivalent F(2) and four equivalent F(1) atoms to form RbF6 octahedra that share corners with six equivalent Ti(1)F6 octahedra and faces with eight equivalent K(1)F12 cuboctahedra. The corner-sharing octahedra are not tilted. K(1) is bonded to four equivalent F(2) and eight equivalent F(1) atoms to form distorted KF12 cuboctahedra that share corners with twelve equivalent K(1)F12 cuboctahedra, faces with six equivalent K(1)F12 cuboctahedra, faces with four equivalent Rb(1)F6 octahedra, and faces with four equivalent Ti(1)F6 octahedra. Ti(1) is bonded to two equivalent F(2) and four equivalent F(1) atoms to form TiF6 octahedra that share corners with six equivalent Rb(1)F6 octahedra and faces with eight equivalent K(1)F12 cuboctahedra. The corner-sharing octahedra are not tilted. There are two inequivalent F sites. In the first F site, F(1) is bonded in a distorted linear geometry to one Rb(1), four equivalent K(1), and one Ti(1) atom. In the second F site, F(2) is bonded in a distorted linear geometry to one Rb(1), four equivalent K(1), and one Ti(1) atom. is represented by the CIF file [CIF]
data_K2RbTiF6
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   6.416
_cell_length_b   6.469
_cell_length_c   6.416
_cell_angle_alpha   59.730
_cell_angle_beta   60.541
_cell_angle_gamma   59.729
_symmetry_Int_Tables_number   1
_cell_volume   188.269
_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
  K  K0  1  0.250  0.250  0.250  1.0
  K  K1  1  0.750  0.750  0.750  1.0
  Rb  Rb2  1  0.500  0.500  0.500  1.0
  Ti  Ti3  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  0.214  0.786  0.214  1.0
  F  F8  1  0.786  0.214  0.786  1.0
  F  F9  1  0.782  0.218  0.218  1.0
[/CIF]
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