The crystal structure described by Rb3TiF6 is (Cubic) Perovskite-like structured and crystallizes in the tetragonal I4/mmm space group. There are two inequivalent Rb sites. In the first Rb site, Rb(1) is bonded to four equivalent F(2) and eight 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 Ti(1)F6 octahedra. In the second Rb site, Rb(2) 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 Rb(1)F12 cuboctahedra. The corner-sharing octahedra are not tilted. 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(2)F6 octahedra and faces with eight equivalent Rb(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(2), four equivalent Rb(1), and one Ti(1) atom. In the second F site, F(2) is bonded in a 2-coordinate geometry to one Rb(2), four equivalent Rb(1), and one Ti(1) atom. is represented by the CIF card [CIF]
data_Rb3TiF6
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   6.457
_cell_length_b   6.510
_cell_length_c   6.457
_cell_angle_alpha   59.727
_cell_angle_beta   60.543
_cell_angle_gamma   59.730
_symmetry_Int_Tables_number   1
_cell_volume   191.883
_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  0.750  0.750  0.750  1.0
  Rb  Rb1  1  0.250  0.250  0.250  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  0.783  0.217  0.217  1.0
  F  F5  1  0.217  0.217  0.783  1.0
  F  F6  1  0.217  0.783  0.783  1.0
  F  F7  1  0.213  0.787  0.213  1.0
  F  F8  1  0.787  0.213  0.787  1.0
  F  F9  1  0.783  0.783  0.217  1.0
[/CIF]
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The crystal structure described by Rb3TiF6 is (Cubic) Perovskite-like structured and crystallizes in the tetragonal I4/mmm space group. There are two inequivalent Rb sites. In the first Rb site, Rb(1) is bonded to four equivalent F(2) and eight 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 Ti(1)F6 octahedra. In the second Rb site, Rb(2) 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 Rb(1)F12 cuboctahedra. The corner-sharing octahedra are not tilted. 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(2)F6 octahedra and faces with eight equivalent Rb(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(2), four equivalent Rb(1), and one Ti(1) atom. In the second F site, F(2) is bonded in a 2-coordinate geometry to one Rb(2), four equivalent Rb(1), and one Ti(1) atom. is represented by the CIF card [CIF]
data_Rb3TiF6
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   6.457
_cell_length_b   6.510
_cell_length_c   6.457
_cell_angle_alpha   59.727
_cell_angle_beta   60.543
_cell_angle_gamma   59.730
_symmetry_Int_Tables_number   1
_cell_volume   191.883
_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  0.750  0.750  0.750  1.0
  Rb  Rb1  1  0.250  0.250  0.250  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  0.783  0.217  0.217  1.0
  F  F5  1  0.217  0.217  0.783  1.0
  F  F6  1  0.217  0.783  0.783  1.0
  F  F7  1  0.213  0.787  0.213  1.0
  F  F8  1  0.787  0.213  0.787  1.0
  F  F9  1  0.783  0.783  0.217  1.0
[/CIF]
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