The compound described by RbTlF3 is (Cubic) Perovskite structured and crystallizes in the monoclinic Cm space group. Rb(1) is bonded to four equivalent F(2) and eight equivalent F(1) 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(2) and four equivalent F(1) 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 0-4°. There are two 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. is represented by the CIF card [CIF]
data_RbTlF3
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   4.749
_cell_length_b   4.749
_cell_length_c   4.747
_cell_angle_alpha   89.593
_cell_angle_beta   89.593
_cell_angle_gamma   89.624
_symmetry_Int_Tables_number   1
_cell_volume   107.068
_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  0.992  0.992  1.0
  Tl  Tl1  1  0.495  0.495  0.486  1.0
  F  F2  1  0.495  0.995  0.485  1.0
  F  F3  1  0.508  0.508  0.985  1.0
  F  F4  1  0.995  0.495  0.485  1.0
[/CIF]
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The compound described by RbTlF3 is (Cubic) Perovskite structured and crystallizes in the monoclinic Cm space group. Rb(1) is bonded to four equivalent F(2) and eight equivalent F(1) 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(2) and four equivalent F(1) 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 0-4°. There are two 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. is represented by the CIF card [CIF]
data_RbTlF3
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   4.749
_cell_length_b   4.749
_cell_length_c   4.747
_cell_angle_alpha   89.593
_cell_angle_beta   89.593
_cell_angle_gamma   89.624
_symmetry_Int_Tables_number   1
_cell_volume   107.068
_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  0.992  0.992  1.0
  Tl  Tl1  1  0.495  0.495  0.486  1.0
  F  F2  1  0.495  0.995  0.485  1.0
  F  F3  1  0.508  0.508  0.985  1.0
  F  F4  1  0.995  0.495  0.485  1.0
[/CIF]
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