The material described by (Tl)2PtI6 is Fluorite structured and crystallizes in the tetragonal P4/mnc space group. The structure is zero-dimensional and consists of four 7440-28-0 atoms and two PtI6 clusters. In each PtI6 cluster, Pt(1) is bonded in an octahedral geometry to two equivalent I(2) and four I(1,1) atoms. There are three inequivalent I sites. In the first I site, I(2) is bonded in a single-bond geometry to one Pt(1) atom. In the second I site, I(1) is bonded in a single-bond geometry to one Pt(1) atom. In the third I site, I(1) is bonded in a single-bond geometry to one Pt(1) atom. is represented by the CIF card [CIF]
data_Tl2PtI6
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   7.590
_cell_length_b   7.590
_cell_length_c   11.794
_cell_angle_alpha   90.000
_cell_angle_beta   90.000
_cell_angle_gamma   90.000
_symmetry_Int_Tables_number   1
_cell_volume   679.420
_cell_formula_units_Z   2
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
  Tl  Tl0  1  0.000  0.500  0.250  1.0
  Tl  Tl1  1  0.000  0.500  0.750  1.0
  Tl  Tl2  1  0.500  0.000  0.250  1.0
  Tl  Tl3  1  0.500  0.000  0.750  1.0
  Pt  Pt4  1  0.000  0.000  0.000  1.0
  Pt  Pt5  1  0.500  0.500  0.500  1.0
  I  I6  1  0.195  0.297  0.000  1.0
  I  I7  1  0.805  0.703  0.000  1.0
  I  I8  1  0.703  0.195  0.000  1.0
  I  I9  1  0.305  0.797  0.500  1.0
  I  I10  1  0.297  0.805  0.000  1.0
  I  I11  1  0.695  0.203  0.500  1.0
  I  I12  1  0.797  0.695  0.500  1.0
  I  I13  1  0.203  0.305  0.500  1.0
  I  I14  1  0.000  0.000  0.228  1.0
  I  I15  1  0.000  0.000  0.772  1.0
  I  I16  1  0.500  0.500  0.272  1.0
  I  I17  1  0.500  0.500  0.728  1.0
[/CIF]
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The material described by (Tl)2PtI6 is Fluorite structured and crystallizes in the tetragonal P4/mnc space group. The structure is zero-dimensional and consists of four 7440-28-0 atoms and two PtI6 clusters. In each PtI6 cluster, Pt(1) is bonded in an octahedral geometry to two equivalent I(2) and four I(1,1) atoms. There are three inequivalent I sites. In the first I site, I(2) is bonded in a single-bond geometry to one Pt(1) atom. In the second I site, I(1) is bonded in a single-bond geometry to one Pt(1) atom. In the third I site, I(1) is bonded in a single-bond geometry to one Pt(1) atom. is represented by the CIF card [CIF]
data_Tl2PtI6
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   7.590
_cell_length_b   7.590
_cell_length_c   11.794
_cell_angle_alpha   90.000
_cell_angle_beta   90.000
_cell_angle_gamma   90.000
_symmetry_Int_Tables_number   1
_cell_volume   679.420
_cell_formula_units_Z   2
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
  Tl  Tl0  1  0.000  0.500  0.250  1.0
  Tl  Tl1  1  0.000  0.500  0.750  1.0
  Tl  Tl2  1  0.500  0.000  0.250  1.0
  Tl  Tl3  1  0.500  0.000  0.750  1.0
  Pt  Pt4  1  0.000  0.000  0.000  1.0
  Pt  Pt5  1  0.500  0.500  0.500  1.0
  I  I6  1  0.195  0.297  0.000  1.0
  I  I7  1  0.805  0.703  0.000  1.0
  I  I8  1  0.703  0.195  0.000  1.0
  I  I9  1  0.305  0.797  0.500  1.0
  I  I10  1  0.297  0.805  0.000  1.0
  I  I11  1  0.695  0.203  0.500  1.0
  I  I12  1  0.797  0.695  0.500  1.0
  I  I13  1  0.203  0.305  0.500  1.0
  I  I14  1  0.000  0.000  0.228  1.0
  I  I15  1  0.000  0.000  0.772  1.0
  I  I16  1  0.500  0.500  0.272  1.0
  I  I17  1  0.500  0.500  0.728  1.0
[/CIF]
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