The structure described by Cs2PbO3 crystallizes in the orthorhombic Cmcm space group. Cs(1) is bonded in a 7-coordinate geometry to three equivalent O(1) and four equivalent O(2) atoms. Pb(1) is bonded in a 5-coordinate geometry to one O(1) and four equivalent O(2) atoms. There are two inequivalent O sites. In the first O site, O(1) is bonded in a 7-coordinate geometry to six equivalent Cs(1) and one Pb(1) atom. In the second O site, O(2) is bonded to four equivalent Cs(1) and two equivalent Pb(1) atoms to form a mixture of distorted face, corner, and edge-sharing OCs4Pb2 octahedra. The corner-sharing octahedral tilt angles range from 37-48°. is represented by the Crystallographic Information File (CIF) [CIF]
data_Cs2PbO3
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   6.095
_cell_length_b   6.916
_cell_length_c   6.916
_cell_angle_alpha   110.833
_cell_angle_beta   90.000
_cell_angle_gamma   90.000
_symmetry_Int_Tables_number   1
_cell_volume   272.480
_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
  Cs  Cs0  1  0.250  0.483  0.809  1.0
  Cs  Cs1  1  0.250  0.809  0.483  1.0
  Cs  Cs2  1  0.750  0.517  0.191  1.0
  Cs  Cs3  1  0.750  0.191  0.517  1.0
  Pb  Pb4  1  0.750  0.911  0.911  1.0
  Pb  Pb5  1  0.250  0.089  0.089  1.0
  O  O6  1  0.750  0.650  0.650  1.0
  O  O7  1  0.250  0.350  0.350  1.0
  O  O8  1  0.500  0.124  0.876  1.0
  O  O9  1  0.000  0.876  0.124  1.0
  O  O10  1  0.000  0.124  0.876  1.0
  O  O11  1  0.500  0.876  0.124  1.0
[/CIF]
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The structure described by Cs2PbO3 crystallizes in the orthorhombic Cmcm space group. Cs(1) is bonded in a 7-coordinate geometry to three equivalent O(1) and four equivalent O(2) atoms. Pb(1) is bonded in a 5-coordinate geometry to one O(1) and four equivalent O(2) atoms. There are two inequivalent O sites. In the first O site, O(1) is bonded in a 7-coordinate geometry to six equivalent Cs(1) and one Pb(1) atom. In the second O site, O(2) is bonded to four equivalent Cs(1) and two equivalent Pb(1) atoms to form a mixture of distorted face, corner, and edge-sharing OCs4Pb2 octahedra. The corner-sharing octahedral tilt angles range from 37-48°. is represented by the Crystallographic Information File (CIF) [CIF]
data_Cs2PbO3
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   6.095
_cell_length_b   6.916
_cell_length_c   6.916
_cell_angle_alpha   110.833
_cell_angle_beta   90.000
_cell_angle_gamma   90.000
_symmetry_Int_Tables_number   1
_cell_volume   272.480
_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
  Cs  Cs0  1  0.250  0.483  0.809  1.0
  Cs  Cs1  1  0.250  0.809  0.483  1.0
  Cs  Cs2  1  0.750  0.517  0.191  1.0
  Cs  Cs3  1  0.750  0.191  0.517  1.0
  Pb  Pb4  1  0.750  0.911  0.911  1.0
  Pb  Pb5  1  0.250  0.089  0.089  1.0
  O  O6  1  0.750  0.650  0.650  1.0
  O  O7  1  0.250  0.350  0.350  1.0
  O  O8  1  0.500  0.124  0.876  1.0
  O  O9  1  0.000  0.876  0.124  1.0
  O  O10  1  0.000  0.124  0.876  1.0
  O  O11  1  0.500  0.876  0.124  1.0
[/CIF]
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