The compound described by Pb2S(O2F)2 crystallizes in the monoclinic C2/c space group. Pb(1) is bonded in a 6-coordinate geometry to two equivalent O(2) and four equivalent F(1) atoms. S(1) is bonded in a tetrahedral geometry to two equivalent O(1) and two equivalent O(2) atoms. There are two inequivalent O sites. In the first O site, O(1) is bonded in a single-bond geometry to one S(1) atom. In the second O site, O(2) is bonded in a distorted single-bond geometry to two equivalent Pb(1) and one S(1) atom. F(1) is bonded to four equivalent Pb(1) atoms to form a mixture of corner and edge-sharing FPb4 tetrahedra. is represented by the Crystallographic Information File (CIF) [CIF]
data_Pb2S(O2F)2
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   7.616
_cell_length_b   7.616
_cell_length_c   8.750
_cell_angle_alpha   72.835
_cell_angle_beta   72.835
_cell_angle_gamma   34.347
_symmetry_Int_Tables_number   1
_cell_volume   272.317
_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
  Pb  Pb0  1  0.650  0.659  0.924  1.0
  Pb  Pb1  1  0.350  0.341  0.076  1.0
  Pb  Pb2  1  0.341  0.350  0.576  1.0
  Pb  Pb3  1  0.659  0.650  0.424  1.0
  S  S4  1  0.049  0.951  0.750  1.0
  S  S5  1  0.951  0.049  0.250  1.0
  O  O6  1  0.224  0.955  0.206  1.0
  O  O7  1  0.753  0.244  0.390  1.0
  O  O8  1  0.756  0.247  0.110  1.0
  O  O9  1  0.045  0.776  0.294  1.0
  O  O10  1  0.776  0.045  0.794  1.0
  O  O11  1  0.955  0.224  0.706  1.0
  O  O12  1  0.244  0.753  0.890  1.0
  O  O13  1  0.247  0.756  0.610  1.0
  F  F14  1  0.776  0.730  0.123  1.0
  F  F15  1  0.270  0.224  0.377  1.0
  F  F16  1  0.224  0.270  0.877  1.0
  F  F17  1  0.730  0.776  0.623  1.0
[/CIF]
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The compound described by Pb2S(O2F)2 crystallizes in the monoclinic C2/c space group. Pb(1) is bonded in a 6-coordinate geometry to two equivalent O(2) and four equivalent F(1) atoms. S(1) is bonded in a tetrahedral geometry to two equivalent O(1) and two equivalent O(2) atoms. There are two inequivalent O sites. In the first O site, O(1) is bonded in a single-bond geometry to one S(1) atom. In the second O site, O(2) is bonded in a distorted single-bond geometry to two equivalent Pb(1) and one S(1) atom. F(1) is bonded to four equivalent Pb(1) atoms to form a mixture of corner and edge-sharing FPb4 tetrahedra. is represented by the Crystallographic Information File (CIF) [CIF]
data_Pb2S(O2F)2
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   7.616
_cell_length_b   7.616
_cell_length_c   8.750
_cell_angle_alpha   72.835
_cell_angle_beta   72.835
_cell_angle_gamma   34.347
_symmetry_Int_Tables_number   1
_cell_volume   272.317
_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
  Pb  Pb0  1  0.650  0.659  0.924  1.0
  Pb  Pb1  1  0.350  0.341  0.076  1.0
  Pb  Pb2  1  0.341  0.350  0.576  1.0
  Pb  Pb3  1  0.659  0.650  0.424  1.0
  S  S4  1  0.049  0.951  0.750  1.0
  S  S5  1  0.951  0.049  0.250  1.0
  O  O6  1  0.224  0.955  0.206  1.0
  O  O7  1  0.753  0.244  0.390  1.0
  O  O8  1  0.756  0.247  0.110  1.0
  O  O9  1  0.045  0.776  0.294  1.0
  O  O10  1  0.776  0.045  0.794  1.0
  O  O11  1  0.955  0.224  0.706  1.0
  O  O12  1  0.244  0.753  0.890  1.0
  O  O13  1  0.247  0.756  0.610  1.0
  F  F14  1  0.776  0.730  0.123  1.0
  F  F15  1  0.270  0.224  0.377  1.0
  F  F16  1  0.224  0.270  0.877  1.0
  F  F17  1  0.730  0.776  0.623  1.0
[/CIF]
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