The material described by K6Na4Tl13 crystallizes in the cubic Im-3 space group. K(1) is bonded in a 6-coordinate geometry to six equivalent Tl(1) atoms. Na(1) is bonded in a 6-coordinate geometry to six equivalent Tl(1) atoms. There are two inequivalent Tl sites. In the first Tl site, Tl(2) is bonded in a cuboctahedral geometry to twelve equivalent Tl(1) atoms. In the second Tl site, Tl(1) is bonded in a 3-coordinate geometry to three equivalent K(1), two equivalent Na(1), and one Tl(2) atom. is represented by the Crystallographic Information File (CIF) [CIF]
data_K6Na4Tl13
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   10.020
_cell_length_b   10.020
_cell_length_c   10.020
_cell_angle_alpha   109.471
_cell_angle_beta   109.471
_cell_angle_gamma   109.471
_symmetry_Int_Tables_number   1
_cell_volume   774.321
_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  0.828  0.328  0.500  1.0
  K  K1  1  0.172  0.672  0.500  1.0
  K  K2  1  0.328  0.500  0.828  1.0
  K  K3  1  0.672  0.500  0.172  1.0
  K  K4  1  0.500  0.828  0.328  1.0
  K  K5  1  0.500  0.172  0.672  1.0
  Na  Na6  1  0.500  0.500  0.500  1.0
  Na  Na7  1  0.500  0.000  0.000  1.0
  Na  Na8  1  1.000  0.500  0.000  1.0
  Na  Na9  1  1.000  0.000  0.500  1.0
  Tl  Tl10  1  0.858  0.758  0.616  1.0
  Tl  Tl11  1  0.142  0.242  0.384  1.0
  Tl  Tl12  1  0.142  0.758  0.901  1.0
  Tl  Tl13  1  0.858  0.242  0.099  1.0
  Tl  Tl14  1  0.758  0.616  0.858  1.0
  Tl  Tl15  1  0.242  0.384  0.142  1.0
  Tl  Tl16  1  0.758  0.901  0.142  1.0
  Tl  Tl17  1  0.242  0.099  0.858  1.0
  Tl  Tl18  1  0.616  0.858  0.758  1.0
  Tl  Tl19  1  0.384  0.142  0.242  1.0
  Tl  Tl20  1  0.099  0.858  0.242  1.0
  Tl  Tl21  1  0.901  0.142  0.758  1.0
  Tl  Tl22  1  0.000  1.000  1.000  1.0
[/CIF]
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The material described by K6Na4Tl13 crystallizes in the cubic Im-3 space group. K(1) is bonded in a 6-coordinate geometry to six equivalent Tl(1) atoms. Na(1) is bonded in a 6-coordinate geometry to six equivalent Tl(1) atoms. There are two inequivalent Tl sites. In the first Tl site, Tl(2) is bonded in a cuboctahedral geometry to twelve equivalent Tl(1) atoms. In the second Tl site, Tl(1) is bonded in a 3-coordinate geometry to three equivalent K(1), two equivalent Na(1), and one Tl(2) atom. is represented by the Crystallographic Information File (CIF) [CIF]
data_K6Na4Tl13
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   10.020
_cell_length_b   10.020
_cell_length_c   10.020
_cell_angle_alpha   109.471
_cell_angle_beta   109.471
_cell_angle_gamma   109.471
_symmetry_Int_Tables_number   1
_cell_volume   774.321
_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  0.828  0.328  0.500  1.0
  K  K1  1  0.172  0.672  0.500  1.0
  K  K2  1  0.328  0.500  0.828  1.0
  K  K3  1  0.672  0.500  0.172  1.0
  K  K4  1  0.500  0.828  0.328  1.0
  K  K5  1  0.500  0.172  0.672  1.0
  Na  Na6  1  0.500  0.500  0.500  1.0
  Na  Na7  1  0.500  0.000  0.000  1.0
  Na  Na8  1  1.000  0.500  0.000  1.0
  Na  Na9  1  1.000  0.000  0.500  1.0
  Tl  Tl10  1  0.858  0.758  0.616  1.0
  Tl  Tl11  1  0.142  0.242  0.384  1.0
  Tl  Tl12  1  0.142  0.758  0.901  1.0
  Tl  Tl13  1  0.858  0.242  0.099  1.0
  Tl  Tl14  1  0.758  0.616  0.858  1.0
  Tl  Tl15  1  0.242  0.384  0.142  1.0
  Tl  Tl16  1  0.758  0.901  0.142  1.0
  Tl  Tl17  1  0.242  0.099  0.858  1.0
  Tl  Tl18  1  0.616  0.858  0.758  1.0
  Tl  Tl19  1  0.384  0.142  0.242  1.0
  Tl  Tl20  1  0.099  0.858  0.242  1.0
  Tl  Tl21  1  0.901  0.142  0.758  1.0
  Tl  Tl22  1  0.000  1.000  1.000  1.0
[/CIF]
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