The structure described by Cs2PtI6 crystallizes in the cubic Fm-3m space group. Cs(1) is bonded to twelve equivalent I(1) atoms to form CsI12 cuboctahedra that share corners with twelve equivalent Cs(1)I12 cuboctahedra, faces with six equivalent Cs(1)I12 cuboctahedra, and faces with four equivalent Pt(1)I6 octahedra. Pt(1) is bonded to six equivalent I(1) atoms to form PtI6 octahedra that share faces with eight equivalent Cs(1)I12 cuboctahedra. I(1) is bonded to four equivalent Cs(1) and one Pt(1) atom to form a mixture of distorted corner, face, and edge-sharing ICs4Pt square pyramids. is represented by the CIF file [CIF]
data_Cs2PtI6
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   8.172
_cell_length_b   8.172
_cell_length_c   8.172
_cell_angle_alpha   60.000
_cell_angle_beta   60.000
_cell_angle_gamma   60.000
_symmetry_Int_Tables_number   1
_cell_volume   385.929
_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  0.250  0.250  0.250  1.0
  Cs  Cs1  1  0.750  0.750  0.750  1.0
  Pt  Pt2  1  0.000  0.000  0.000  1.0
  I  I3  1  0.766  0.234  0.766  1.0
  I  I4  1  0.234  0.234  0.766  1.0
  I  I5  1  0.766  0.234  0.234  1.0
  I  I6  1  0.234  0.766  0.234  1.0
  I  I7  1  0.234  0.766  0.766  1.0
  I  I8  1  0.766  0.766  0.234  1.0
[/CIF]
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The structure described by Cs2PtI6 crystallizes in the cubic Fm-3m space group. Cs(1) is bonded to twelve equivalent I(1) atoms to form CsI12 cuboctahedra that share corners with twelve equivalent Cs(1)I12 cuboctahedra, faces with six equivalent Cs(1)I12 cuboctahedra, and faces with four equivalent Pt(1)I6 octahedra. Pt(1) is bonded to six equivalent I(1) atoms to form PtI6 octahedra that share faces with eight equivalent Cs(1)I12 cuboctahedra. I(1) is bonded to four equivalent Cs(1) and one Pt(1) atom to form a mixture of distorted corner, face, and edge-sharing ICs4Pt square pyramids. is represented by the CIF file [CIF]
data_Cs2PtI6
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   8.172
_cell_length_b   8.172
_cell_length_c   8.172
_cell_angle_alpha   60.000
_cell_angle_beta   60.000
_cell_angle_gamma   60.000
_symmetry_Int_Tables_number   1
_cell_volume   385.929
_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  0.250  0.250  0.250  1.0
  Cs  Cs1  1  0.750  0.750  0.750  1.0
  Pt  Pt2  1  0.000  0.000  0.000  1.0
  I  I3  1  0.766  0.234  0.766  1.0
  I  I4  1  0.234  0.234  0.766  1.0
  I  I5  1  0.766  0.234  0.234  1.0
  I  I6  1  0.234  0.766  0.234  1.0
  I  I7  1  0.234  0.766  0.766  1.0
  I  I8  1  0.766  0.766  0.234  1.0
[/CIF]
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