The material structure described by SrPb2O5Cl6 crystallizes in the monoclinic C2/c space group. Sr(1) is bonded in a 7-coordinate geometry to one O(3), two equivalent O(1), four equivalent O(2), and two equivalent Cl(3) atoms. Pb(1) is bonded in a 8-coordinate geometry to one O(1), two equivalent Cl(1), two equivalent Cl(3), and three equivalent Cl(2) atoms. There are three inequivalent O sites. In the first O site, O(1) is bonded in a 4-coordinate geometry to one Sr(1), one Pb(1), one Cl(1), and one Cl(3) atom. In the second O site, O(2) is bonded in a bent 120 degrees geometry to two equivalent Sr(1) atoms. In the third O site, O(3) is bonded in a single-bond geometry to one Sr(1) atom. There are three inequivalent Cl sites. In the first Cl site, Cl(1) is bonded in a 3-coordinate geometry to two equivalent Pb(1) and one O(1) atom. In the second Cl site, Cl(2) is bonded in a distorted trigonal non-coplanar geometry to three equivalent Pb(1) atoms. In the third Cl site, Cl(3) is bonded in a 4-coordinate geometry to one Sr(1), two equivalent Pb(1), and one O(1) atom. is represented by the CIF card [CIF]
data_SrPb2Cl6O5
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   8.667
_cell_length_b   9.186
_cell_length_c   9.186
_cell_angle_alpha   76.008
_cell_angle_beta   69.722
_cell_angle_gamma   69.722
_symmetry_Int_Tables_number   1
_cell_volume   637.300
_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  0.250  0.062  0.938  1.0
  Sr  Sr1  1  0.750  0.938  0.062  1.0
  Pb  Pb2  1  0.509  0.589  0.712  1.0
  Pb  Pb3  1  0.991  0.288  0.411  1.0
  Pb  Pb4  1  0.491  0.411  0.288  1.0
  Pb  Pb5  1  0.009  0.712  0.589  1.0
  Cl  Cl6  1  0.140  0.599  0.862  1.0
  Cl  Cl7  1  0.360  0.138  0.401  1.0
  Cl  Cl8  1  0.860  0.401  0.138  1.0
  Cl  Cl9  1  0.640  0.862  0.599  1.0
  Cl  Cl10  1  0.605  0.303  0.564  1.0
  Cl  Cl11  1  0.895  0.436  0.697  1.0
  Cl  Cl12  1  0.395  0.697  0.436  1.0
  Cl  Cl13  1  0.105  0.564  0.303  1.0
  Cl  Cl14  1  0.487  0.305  0.998  1.0
  Cl  Cl15  1  0.013  0.002  0.695  1.0
  Cl  Cl16  1  0.513  0.695  0.002  1.0
  Cl  Cl17  1  0.987  0.998  0.305  1.0
  O  O18  1  0.244  0.828  0.793  1.0
  O  O19  1  0.256  0.207  0.172  1.0
  O  O20  1  0.756  0.172  0.207  1.0
  O  O21  1  0.744  0.793  0.828  1.0
  O  O22  1  0.065  0.872  0.041  1.0
  O  O23  1  0.435  0.959  0.128  1.0
  O  O24  1  0.935  0.128  0.959  1.0
  O  O25  1  0.565  0.041  0.872  1.0
  O  O26  1  0.250  0.308  0.692  1.0
  O  O27  1  0.750  0.692  0.308  1.0
[/CIF]
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The material structure described by SrPb2O5Cl6 crystallizes in the monoclinic C2/c space group. Sr(1) is bonded in a 7-coordinate geometry to one O(3), two equivalent O(1), four equivalent O(2), and two equivalent Cl(3) atoms. Pb(1) is bonded in a 8-coordinate geometry to one O(1), two equivalent Cl(1), two equivalent Cl(3), and three equivalent Cl(2) atoms. There are three inequivalent O sites. In the first O site, O(1) is bonded in a 4-coordinate geometry to one Sr(1), one Pb(1), one Cl(1), and one Cl(3) atom. In the second O site, O(2) is bonded in a bent 120 degrees geometry to two equivalent Sr(1) atoms. In the third O site, O(3) is bonded in a single-bond geometry to one Sr(1) atom. There are three inequivalent Cl sites. In the first Cl site, Cl(1) is bonded in a 3-coordinate geometry to two equivalent Pb(1) and one O(1) atom. In the second Cl site, Cl(2) is bonded in a distorted trigonal non-coplanar geometry to three equivalent Pb(1) atoms. In the third Cl site, Cl(3) is bonded in a 4-coordinate geometry to one Sr(1), two equivalent Pb(1), and one O(1) atom. is represented by the CIF card [CIF]
data_SrPb2Cl6O5
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   8.667
_cell_length_b   9.186
_cell_length_c   9.186
_cell_angle_alpha   76.008
_cell_angle_beta   69.722
_cell_angle_gamma   69.722
_symmetry_Int_Tables_number   1
_cell_volume   637.300
_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  0.250  0.062  0.938  1.0
  Sr  Sr1  1  0.750  0.938  0.062  1.0
  Pb  Pb2  1  0.509  0.589  0.712  1.0
  Pb  Pb3  1  0.991  0.288  0.411  1.0
  Pb  Pb4  1  0.491  0.411  0.288  1.0
  Pb  Pb5  1  0.009  0.712  0.589  1.0
  Cl  Cl6  1  0.140  0.599  0.862  1.0
  Cl  Cl7  1  0.360  0.138  0.401  1.0
  Cl  Cl8  1  0.860  0.401  0.138  1.0
  Cl  Cl9  1  0.640  0.862  0.599  1.0
  Cl  Cl10  1  0.605  0.303  0.564  1.0
  Cl  Cl11  1  0.895  0.436  0.697  1.0
  Cl  Cl12  1  0.395  0.697  0.436  1.0
  Cl  Cl13  1  0.105  0.564  0.303  1.0
  Cl  Cl14  1  0.487  0.305  0.998  1.0
  Cl  Cl15  1  0.013  0.002  0.695  1.0
  Cl  Cl16  1  0.513  0.695  0.002  1.0
  Cl  Cl17  1  0.987  0.998  0.305  1.0
  O  O18  1  0.244  0.828  0.793  1.0
  O  O19  1  0.256  0.207  0.172  1.0
  O  O20  1  0.756  0.172  0.207  1.0
  O  O21  1  0.744  0.793  0.828  1.0
  O  O22  1  0.065  0.872  0.041  1.0
  O  O23  1  0.435  0.959  0.128  1.0
  O  O24  1  0.935  0.128  0.959  1.0
  O  O25  1  0.565  0.041  0.872  1.0
  O  O26  1  0.250  0.308  0.692  1.0
  O  O27  1  0.750  0.692  0.308  1.0
[/CIF]
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