The compound described by SrPb2O7I6 crystallizes in the tetragonal I4_1/amd space group. Sr(1) is bonded in an octahedral geometry to two equivalent O(1) and four equivalent O(2) atoms. Pb(1) is bonded in a linear geometry to two equivalent I(1) atoms. There are three inequivalent O sites. In the first O site, O(1) is bonded in a linear geometry to one Sr(1) and one I(1) atom. In the second O site, O(2) is bonded in a T-shaped geometry to one Sr(1) and two equivalent I(2) atoms. In the third O site, O(3) is bonded in a linear geometry to two equivalent I(1) atoms. There are two inequivalent I sites. In the first I site, I(1) is bonded in a 4-coordinate geometry to two equivalent Pb(1), one O(1), and one O(3) atom. In the second I site, I(2) is bonded in a water-like geometry to two equivalent O(2) atoms. is represented by the CIF file [CIF]
data_SrPb2I6O7
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   10.475
_cell_length_b   10.475
_cell_length_c   10.475
_cell_angle_alpha   114.156
_cell_angle_beta   114.156
_cell_angle_gamma   100.460
_symmetry_Int_Tables_number   1
_cell_volume   868.679
_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
  Sr  Sr0  1  0.750  0.250  0.500  1.0
  Sr  Sr1  1  0.000  0.000  0.000  1.0
  Pb  Pb2  1  0.375  0.125  0.750  1.0
  Pb  Pb3  1  0.375  0.625  0.250  1.0
  Pb  Pb4  1  0.875  0.625  0.250  1.0
  Pb  Pb5  1  0.375  0.625  0.750  1.0
  I  I6  1  0.072  0.572  0.500  1.0
  I  I7  1  0.678  0.678  0.000  1.0
  I  I8  1  0.428  0.928  0.500  1.0
  I  I9  1  0.322  0.322  0.000  1.0
  I  I10  1  0.548  0.452  0.500  1.0
  I  I11  1  0.952  0.048  0.500  1.0
  I  I12  1  0.798  0.202  0.000  1.0
  I  I13  1  0.202  0.798  0.000  1.0
  I  I14  1  0.548  0.048  0.095  1.0
  I  I15  1  0.952  0.452  0.905  1.0
  I  I16  1  0.798  0.798  0.595  1.0
  I  I17  1  0.202  0.202  0.405  1.0
  O  O18  1  0.931  0.431  0.500  1.0
  O  O19  1  0.819  0.819  0.000  1.0
  O  O20  1  0.569  0.069  0.500  1.0
  O  O21  1  0.181  0.181  0.000  1.0
  O  O22  1  0.539  0.255  0.284  1.0
  O  O23  1  0.972  0.255  0.716  1.0
  O  O24  1  0.778  0.995  0.784  1.0
  O  O25  1  0.211  0.995  0.216  1.0
  O  O26  1  0.745  0.461  0.716  1.0
  O  O27  1  0.745  0.028  0.284  1.0
  O  O28  1  0.005  0.222  0.216  1.0
  O  O29  1  0.005  0.789  0.784  1.0
  O  O30  1  0.250  0.750  0.500  1.0
  O  O31  1  0.500  0.500  0.000  1.0
[/CIF]
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The compound described by SrPb2O7I6 crystallizes in the tetragonal I4_1/amd space group. Sr(1) is bonded in an octahedral geometry to two equivalent O(1) and four equivalent O(2) atoms. Pb(1) is bonded in a linear geometry to two equivalent I(1) atoms. There are three inequivalent O sites. In the first O site, O(1) is bonded in a linear geometry to one Sr(1) and one I(1) atom. In the second O site, O(2) is bonded in a T-shaped geometry to one Sr(1) and two equivalent I(2) atoms. In the third O site, O(3) is bonded in a linear geometry to two equivalent I(1) atoms. There are two inequivalent I sites. In the first I site, I(1) is bonded in a 4-coordinate geometry to two equivalent Pb(1), one O(1), and one O(3) atom. In the second I site, I(2) is bonded in a water-like geometry to two equivalent O(2) atoms. is represented by the CIF file [CIF]
data_SrPb2I6O7
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   10.475
_cell_length_b   10.475
_cell_length_c   10.475
_cell_angle_alpha   114.156
_cell_angle_beta   114.156
_cell_angle_gamma   100.460
_symmetry_Int_Tables_number   1
_cell_volume   868.679
_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
  Sr  Sr0  1  0.750  0.250  0.500  1.0
  Sr  Sr1  1  0.000  0.000  0.000  1.0
  Pb  Pb2  1  0.375  0.125  0.750  1.0
  Pb  Pb3  1  0.375  0.625  0.250  1.0
  Pb  Pb4  1  0.875  0.625  0.250  1.0
  Pb  Pb5  1  0.375  0.625  0.750  1.0
  I  I6  1  0.072  0.572  0.500  1.0
  I  I7  1  0.678  0.678  0.000  1.0
  I  I8  1  0.428  0.928  0.500  1.0
  I  I9  1  0.322  0.322  0.000  1.0
  I  I10  1  0.548  0.452  0.500  1.0
  I  I11  1  0.952  0.048  0.500  1.0
  I  I12  1  0.798  0.202  0.000  1.0
  I  I13  1  0.202  0.798  0.000  1.0
  I  I14  1  0.548  0.048  0.095  1.0
  I  I15  1  0.952  0.452  0.905  1.0
  I  I16  1  0.798  0.798  0.595  1.0
  I  I17  1  0.202  0.202  0.405  1.0
  O  O18  1  0.931  0.431  0.500  1.0
  O  O19  1  0.819  0.819  0.000  1.0
  O  O20  1  0.569  0.069  0.500  1.0
  O  O21  1  0.181  0.181  0.000  1.0
  O  O22  1  0.539  0.255  0.284  1.0
  O  O23  1  0.972  0.255  0.716  1.0
  O  O24  1  0.778  0.995  0.784  1.0
  O  O25  1  0.211  0.995  0.216  1.0
  O  O26  1  0.745  0.461  0.716  1.0
  O  O27  1  0.745  0.028  0.284  1.0
  O  O28  1  0.005  0.222  0.216  1.0
  O  O29  1  0.005  0.789  0.784  1.0
  O  O30  1  0.250  0.750  0.500  1.0
  O  O31  1  0.500  0.500  0.000  1.0
[/CIF]
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