The compound described by Cs2Pd(IBr2)2 crystallizes in the tetragonal I4/mmm space group. Cs(1) is bonded in a 8-coordinate geometry to four equivalent I(1) and eight equivalent Br(1) atoms. Pd(1) is bonded in an octahedral geometry to two equivalent I(1) and four equivalent Br(1) atoms. I(1) is bonded in a 6-coordinate geometry to four equivalent Cs(1), one Pd(1), and one I(1) atom. Br(1) is bonded in a distorted single-bond geometry to four equivalent Cs(1) and one Pd(1) atom. is represented by the CIF file [CIF]
data_Cs2Pd(IBr2)2
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   7.660
_cell_length_b   7.660
_cell_length_c   7.660
_cell_angle_alpha   110.810
_cell_angle_beta   110.810
_cell_angle_gamma   106.825
_symmetry_Int_Tables_number   1
_cell_volume   345.501
_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  0.750  0.250  0.500  1.0
  Cs  Cs1  1  0.250  0.750  0.500  1.0
  Pd  Pd2  1  0.000  0.000  0.000  1.0
  I  I3  1  0.342  0.342  0.000  1.0
  I  I4  1  0.658  0.658  0.000  1.0
  Br  Br5  1  0.202  0.202  0.404  1.0
  Br  Br6  1  0.202  0.798  0.000  1.0
  Br  Br7  1  0.798  0.202  0.000  1.0
  Br  Br8  1  0.798  0.798  0.596  1.0
[/CIF]
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The compound described by Cs2Pd(IBr2)2 crystallizes in the tetragonal I4/mmm space group. Cs(1) is bonded in a 8-coordinate geometry to four equivalent I(1) and eight equivalent Br(1) atoms. Pd(1) is bonded in an octahedral geometry to two equivalent I(1) and four equivalent Br(1) atoms. I(1) is bonded in a 6-coordinate geometry to four equivalent Cs(1), one Pd(1), and one I(1) atom. Br(1) is bonded in a distorted single-bond geometry to four equivalent Cs(1) and one Pd(1) atom. is represented by the CIF file [CIF]
data_Cs2Pd(IBr2)2
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   7.660
_cell_length_b   7.660
_cell_length_c   7.660
_cell_angle_alpha   110.810
_cell_angle_beta   110.810
_cell_angle_gamma   106.825
_symmetry_Int_Tables_number   1
_cell_volume   345.501
_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  0.750  0.250  0.500  1.0
  Cs  Cs1  1  0.250  0.750  0.500  1.0
  Pd  Pd2  1  0.000  0.000  0.000  1.0
  I  I3  1  0.342  0.342  0.000  1.0
  I  I4  1  0.658  0.658  0.000  1.0
  Br  Br5  1  0.202  0.202  0.404  1.0
  Br  Br6  1  0.202  0.798  0.000  1.0
  Br  Br7  1  0.798  0.202  0.000  1.0
  Br  Br8  1  0.798  0.798  0.596  1.0
[/CIF]
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