The crystal structure described by RbTlF3 is (Cubic) Perovskite structured and crystallizes in the triclinic P1 space group. Rb(1) is bonded to four equivalent F(1), four equivalent F(2), and four equivalent F(3) atoms to form distorted RbF12 cuboctahedra that share corners with twelve equivalent Rb(1)F12 cuboctahedra, faces with six equivalent Rb(1)F12 cuboctahedra, and faces with eight equivalent Tl(1)F6 octahedra. Tl(1) is bonded to two equivalent F(1), two equivalent F(2), and two equivalent F(3) atoms to form TlF6 octahedra that share corners with six equivalent Tl(1)F6 octahedra and faces with eight equivalent Rb(1)F12 cuboctahedra. The corner-sharing octahedral tilt angles range from 0-5°. There are three inequivalent F sites. In the first F site, F(1) is bonded in a distorted linear geometry to four equivalent Rb(1) and two equivalent Tl(1) atoms. In the second F site, F(2) is bonded in a distorted linear geometry to four equivalent Rb(1) and two equivalent Tl(1) atoms. In the third F site, F(3) is bonded in a distorted linear geometry to four equivalent Rb(1) and two equivalent Tl(1) atoms. is represented by the Crystallographic Information File (CIF) [CIF]
data_RbTlF3
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   4.747
_cell_length_b   4.750
_cell_length_c   4.749
_cell_angle_alpha   89.624
_cell_angle_beta   89.343
_cell_angle_gamma   89.843
_symmetry_Int_Tables_number   1
_cell_volume   107.066
_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  0.992  0.996  0.992  1.0
  Tl  Tl1  1  0.486  0.499  0.495  1.0
  F  F2  1  0.485  0.999  0.495  1.0
  F  F3  1  0.985  0.508  0.513  1.0
  F  F4  1  0.492  0.498  0.995  1.0
[/CIF]
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The crystal structure described by RbTlF3 is (Cubic) Perovskite structured and crystallizes in the triclinic P1 space group. Rb(1) is bonded to four equivalent F(1), four equivalent F(2), and four equivalent F(3) atoms to form distorted RbF12 cuboctahedra that share corners with twelve equivalent Rb(1)F12 cuboctahedra, faces with six equivalent Rb(1)F12 cuboctahedra, and faces with eight equivalent Tl(1)F6 octahedra. Tl(1) is bonded to two equivalent F(1), two equivalent F(2), and two equivalent F(3) atoms to form TlF6 octahedra that share corners with six equivalent Tl(1)F6 octahedra and faces with eight equivalent Rb(1)F12 cuboctahedra. The corner-sharing octahedral tilt angles range from 0-5°. There are three inequivalent F sites. In the first F site, F(1) is bonded in a distorted linear geometry to four equivalent Rb(1) and two equivalent Tl(1) atoms. In the second F site, F(2) is bonded in a distorted linear geometry to four equivalent Rb(1) and two equivalent Tl(1) atoms. In the third F site, F(3) is bonded in a distorted linear geometry to four equivalent Rb(1) and two equivalent Tl(1) atoms. is represented by the Crystallographic Information File (CIF) [CIF]
data_RbTlF3
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   4.747
_cell_length_b   4.750
_cell_length_c   4.749
_cell_angle_alpha   89.624
_cell_angle_beta   89.343
_cell_angle_gamma   89.843
_symmetry_Int_Tables_number   1
_cell_volume   107.066
_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  0.992  0.996  0.992  1.0
  Tl  Tl1  1  0.486  0.499  0.495  1.0
  F  F2  1  0.485  0.999  0.495  1.0
  F  F3  1  0.985  0.508  0.513  1.0
  F  F4  1  0.492  0.498  0.995  1.0
[/CIF]
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