The material structure described by CsTlF3 is (Cubic) Perovskite structured and crystallizes in the trigonal R3m space group. Cs(1) is bonded to twelve equivalent F(1) atoms to form CsF12 cuboctahedra that share corners with twelve equivalent Cs(1)F12 cuboctahedra, faces with six equivalent Cs(1)F12 cuboctahedra, and faces with eight equivalent Tl(1)F6 octahedra. Tl(1) is bonded to six equivalent F(1) atoms to form TlF6 octahedra that share corners with six equivalent Tl(1)F6 octahedra and faces with eight equivalent Cs(1)F12 cuboctahedra. The corner-sharing octahedral tilt angles are 1°. F(1) is bonded in a distorted linear geometry to four equivalent Cs(1) and two equivalent Tl(1) atoms. is represented by the CIF card [CIF]
data_CsTlF3
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   4.782
_cell_length_b   4.782
_cell_length_c   4.782
_cell_angle_alpha   90.081
_cell_angle_beta   90.081
_cell_angle_gamma   90.081
_symmetry_Int_Tables_number   1
_cell_volume   109.356
_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
  Cs  Cs0  1  0.054  0.054  0.054  1.0
  Tl  Tl1  1  0.547  0.547  0.547  1.0
  F  F2  1  0.047  0.543  0.543  1.0
  F  F3  1  0.543  0.543  0.047  1.0
  F  F4  1  0.543  0.047  0.543  1.0
[/CIF]
.
The material structure described by CsTlF3 is (Cubic) Perovskite structured and crystallizes in the trigonal R3m space group. Cs(1) is bonded to twelve equivalent F(1) atoms to form CsF12 cuboctahedra that share corners with twelve equivalent Cs(1)F12 cuboctahedra, faces with six equivalent Cs(1)F12 cuboctahedra, and faces with eight equivalent Tl(1)F6 octahedra. Tl(1) is bonded to six equivalent F(1) atoms to form TlF6 octahedra that share corners with six equivalent Tl(1)F6 octahedra and faces with eight equivalent Cs(1)F12 cuboctahedra. The corner-sharing octahedral tilt angles are 1°. F(1) is bonded in a distorted linear geometry to four equivalent Cs(1) and two equivalent Tl(1) atoms. is represented by the CIF card [CIF]
data_CsTlF3
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   4.782
_cell_length_b   4.782
_cell_length_c   4.782
_cell_angle_alpha   90.081
_cell_angle_beta   90.081
_cell_angle_gamma   90.081
_symmetry_Int_Tables_number   1
_cell_volume   109.356
_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
  Cs  Cs0  1  0.054  0.054  0.054  1.0
  Tl  Tl1  1  0.547  0.547  0.547  1.0
  F  F2  1  0.047  0.543  0.543  1.0
  F  F3  1  0.543  0.543  0.047  1.0
  F  F4  1  0.543  0.047  0.543  1.0
[/CIF]
.