The material structure described by (K)2YTlBr6 is High-temperature superconductor-derived structured and crystallizes in the cubic Fm-3m space group. The structure consists of eight 7440-09-7 atoms inside a YTlBr6 framework. In the YTlBr6 framework, Y(1) is bonded to six equivalent Br(1) atoms to form YBr6 octahedra that share corners with six equivalent Tl(1)Br6 octahedra. The corner-sharing octahedra are not tilted. Tl(1) is bonded to six equivalent Br(1) atoms to form TlBr6 octahedra that share corners with six equivalent Y(1)Br6 octahedra. The corner-sharing octahedra are not tilted. Br(1) is bonded in a linear geometry to one Y(1) and one Tl(1) atom. is represented by the CIF file [CIF]
data_K2YTlBr6
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   8.450
_cell_length_b   8.450
_cell_length_c   8.450
_cell_angle_alpha   60.000
_cell_angle_beta   60.000
_cell_angle_gamma   60.000
_symmetry_Int_Tables_number   1
_cell_volume   426.687
_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  0.750  0.750  0.750  1.0
  K  K1  1  0.250  0.250  0.250  1.0
  Y  Y2  1  0.000  0.000  0.000  1.0
  Tl  Tl3  1  0.500  0.500  0.500  1.0
  Br  Br4  1  0.766  0.234  0.234  1.0
  Br  Br5  1  0.234  0.234  0.766  1.0
  Br  Br6  1  0.234  0.766  0.766  1.0
  Br  Br7  1  0.234  0.766  0.234  1.0
  Br  Br8  1  0.766  0.234  0.766  1.0
  Br  Br9  1  0.766  0.766  0.234  1.0
[/CIF]
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The material structure described by (K)2YTlBr6 is High-temperature superconductor-derived structured and crystallizes in the cubic Fm-3m space group. The structure consists of eight 7440-09-7 atoms inside a YTlBr6 framework. In the YTlBr6 framework, Y(1) is bonded to six equivalent Br(1) atoms to form YBr6 octahedra that share corners with six equivalent Tl(1)Br6 octahedra. The corner-sharing octahedra are not tilted. Tl(1) is bonded to six equivalent Br(1) atoms to form TlBr6 octahedra that share corners with six equivalent Y(1)Br6 octahedra. The corner-sharing octahedra are not tilted. Br(1) is bonded in a linear geometry to one Y(1) and one Tl(1) atom. is represented by the CIF file [CIF]
data_K2YTlBr6
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   8.450
_cell_length_b   8.450
_cell_length_c   8.450
_cell_angle_alpha   60.000
_cell_angle_beta   60.000
_cell_angle_gamma   60.000
_symmetry_Int_Tables_number   1
_cell_volume   426.687
_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  0.750  0.750  0.750  1.0
  K  K1  1  0.250  0.250  0.250  1.0
  Y  Y2  1  0.000  0.000  0.000  1.0
  Tl  Tl3  1  0.500  0.500  0.500  1.0
  Br  Br4  1  0.766  0.234  0.234  1.0
  Br  Br5  1  0.234  0.234  0.766  1.0
  Br  Br6  1  0.234  0.766  0.766  1.0
  Br  Br7  1  0.234  0.766  0.234  1.0
  Br  Br8  1  0.766  0.234  0.766  1.0
  Br  Br9  1  0.766  0.766  0.234  1.0
[/CIF]
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