The material structure described by K9NaTl13 crystallizes in the trigonal R-3 space group. There are two inequivalent K sites. In the first K site, K(1) is bonded in a distorted hexagonal planar geometry to two equivalent Tl(2) and four equivalent Tl(1) atoms. In the second K site, K(2) is bonded in a 1-coordinate geometry to one Tl(2) atom. Na(1) is bonded in a distorted hexagonal planar geometry to six equivalent Tl(2) atoms. There are three inequivalent Tl sites. In the first Tl site, Tl(2) is bonded in a 3-coordinate geometry to one K(1), one K(2), one Na(1), and one Tl(3) atom. In the second Tl site, Tl(3) is bonded in a cuboctahedral geometry to six equivalent Tl(1) and six equivalent Tl(2) atoms. In the third Tl site, Tl(1) is bonded in a distorted bent 120 degrees geometry to two equivalent K(1) and one Tl(3) atom. is represented by the Crystallographic Information File (CIF) [CIF]
data_K9NaTl13
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   10.753
_cell_length_b   10.753
_cell_length_c   10.481
_cell_angle_alpha   71.041
_cell_angle_beta   71.041
_cell_angle_gamma   109.978
_symmetry_Int_Tables_number   1
_cell_volume   938.723
_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  0.000  0.500  0.000  1.0
  K  K1  1  0.500  0.500  0.500  1.0
  K  K2  1  0.500  0.000  0.000  1.0
  K  K3  1  0.325  0.494  0.175  1.0
  K  K4  1  0.675  0.506  0.825  1.0
  K  K5  1  0.169  0.675  0.500  1.0
  K  K6  1  0.831  0.325  0.500  1.0
  K  K7  1  0.506  0.831  0.669  1.0
  K  K8  1  0.494  0.169  0.331  1.0
  Na  Na9  1  0.000  0.000  0.500  1.0
  Tl  Tl10  1  0.771  0.641  0.126  1.0
  Tl  Tl11  1  0.229  0.359  0.874  1.0
  Tl  Tl12  1  0.769  0.901  0.853  1.0
  Tl  Tl13  1  0.231  0.099  0.147  1.0
  Tl  Tl14  1  0.871  0.229  0.897  1.0
  Tl  Tl15  1  0.129  0.771  0.103  1.0
  Tl  Tl16  1  0.132  0.231  0.622  1.0
  Tl  Tl17  1  0.868  0.769  0.378  1.0
  Tl  Tl18  1  0.359  0.129  0.767  1.0
  Tl  Tl19  1  0.641  0.871  0.233  1.0
  Tl  Tl20  1  0.099  0.868  0.754  1.0
  Tl  Tl21  1  0.901  0.132  0.246  1.0
  Tl  Tl22  1  0.000  0.000  0.000  1.0
[/CIF]
.
The material structure described by K9NaTl13 crystallizes in the trigonal R-3 space group. There are two inequivalent K sites. In the first K site, K(1) is bonded in a distorted hexagonal planar geometry to two equivalent Tl(2) and four equivalent Tl(1) atoms. In the second K site, K(2) is bonded in a 1-coordinate geometry to one Tl(2) atom. Na(1) is bonded in a distorted hexagonal planar geometry to six equivalent Tl(2) atoms. There are three inequivalent Tl sites. In the first Tl site, Tl(2) is bonded in a 3-coordinate geometry to one K(1), one K(2), one Na(1), and one Tl(3) atom. In the second Tl site, Tl(3) is bonded in a cuboctahedral geometry to six equivalent Tl(1) and six equivalent Tl(2) atoms. In the third Tl site, Tl(1) is bonded in a distorted bent 120 degrees geometry to two equivalent K(1) and one Tl(3) atom. is represented by the Crystallographic Information File (CIF) [CIF]
data_K9NaTl13
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   10.753
_cell_length_b   10.753
_cell_length_c   10.481
_cell_angle_alpha   71.041
_cell_angle_beta   71.041
_cell_angle_gamma   109.978
_symmetry_Int_Tables_number   1
_cell_volume   938.723
_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  0.000  0.500  0.000  1.0
  K  K1  1  0.500  0.500  0.500  1.0
  K  K2  1  0.500  0.000  0.000  1.0
  K  K3  1  0.325  0.494  0.175  1.0
  K  K4  1  0.675  0.506  0.825  1.0
  K  K5  1  0.169  0.675  0.500  1.0
  K  K6  1  0.831  0.325  0.500  1.0
  K  K7  1  0.506  0.831  0.669  1.0
  K  K8  1  0.494  0.169  0.331  1.0
  Na  Na9  1  0.000  0.000  0.500  1.0
  Tl  Tl10  1  0.771  0.641  0.126  1.0
  Tl  Tl11  1  0.229  0.359  0.874  1.0
  Tl  Tl12  1  0.769  0.901  0.853  1.0
  Tl  Tl13  1  0.231  0.099  0.147  1.0
  Tl  Tl14  1  0.871  0.229  0.897  1.0
  Tl  Tl15  1  0.129  0.771  0.103  1.0
  Tl  Tl16  1  0.132  0.231  0.622  1.0
  Tl  Tl17  1  0.868  0.769  0.378  1.0
  Tl  Tl18  1  0.359  0.129  0.767  1.0
  Tl  Tl19  1  0.641  0.871  0.233  1.0
  Tl  Tl20  1  0.099  0.868  0.754  1.0
  Tl  Tl21  1  0.901  0.132  0.246  1.0
  Tl  Tl22  1  0.000  0.000  0.000  1.0
[/CIF]
.