The structure described by Ag2PbI4 crystallizes in the tetragonal I4/mmm space group. Ag(1) is bonded to two equivalent I(1) and four equivalent I(2) atoms to form AgI6 octahedra that share corners with six equivalent Ag(1)I6 octahedra, edges with four equivalent Ag(1)I6 octahedra, and edges with four equivalent Pb(1)I6 octahedra. The corner-sharing octahedral tilt angles range from 0-2°. Pb(1) is bonded to two equivalent I(2) and four equivalent I(1) atoms to form PbI6 octahedra that share corners with four equivalent Pb(1)I6 octahedra and edges with eight equivalent Ag(1)I6 octahedra. The corner-sharing octahedra are not tilted. There are two inequivalent I sites. In the first I site, I(1) is bonded in a square co-planar geometry to two equivalent Ag(1) and two equivalent Pb(1) atoms. In the second I site, I(2) is bonded to four equivalent Ag(1) and one Pb(1) atom to form a mixture of edge and corner-sharing IAg4Pb square pyramids. is represented by the CIF card [CIF]
data_Ag2PbI4
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   7.730
_cell_length_b   7.730
_cell_length_c   7.730
_cell_angle_alpha   131.290
_cell_angle_beta   131.290
_cell_angle_gamma   71.353
_symmetry_Int_Tables_number   1
_cell_volume   255.271
_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
  Ag  Ag0  1  0.250  0.750  0.500  1.0
  Ag  Ag1  1  0.750  0.250  0.500  1.0
  Pb  Pb2  1  0.500  0.500  0.000  1.0
  I  I3  1  0.000  0.500  0.500  1.0
  I  I4  1  0.245  0.245  0.000  1.0
  I  I5  1  0.500  0.000  0.500  1.0
  I  I6  1  0.755  0.755  0.000  1.0
[/CIF]
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The structure described by Ag2PbI4 crystallizes in the tetragonal I4/mmm space group. Ag(1) is bonded to two equivalent I(1) and four equivalent I(2) atoms to form AgI6 octahedra that share corners with six equivalent Ag(1)I6 octahedra, edges with four equivalent Ag(1)I6 octahedra, and edges with four equivalent Pb(1)I6 octahedra. The corner-sharing octahedral tilt angles range from 0-2°. Pb(1) is bonded to two equivalent I(2) and four equivalent I(1) atoms to form PbI6 octahedra that share corners with four equivalent Pb(1)I6 octahedra and edges with eight equivalent Ag(1)I6 octahedra. The corner-sharing octahedra are not tilted. There are two inequivalent I sites. In the first I site, I(1) is bonded in a square co-planar geometry to two equivalent Ag(1) and two equivalent Pb(1) atoms. In the second I site, I(2) is bonded to four equivalent Ag(1) and one Pb(1) atom to form a mixture of edge and corner-sharing IAg4Pb square pyramids. is represented by the CIF card [CIF]
data_Ag2PbI4
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   7.730
_cell_length_b   7.730
_cell_length_c   7.730
_cell_angle_alpha   131.290
_cell_angle_beta   131.290
_cell_angle_gamma   71.353
_symmetry_Int_Tables_number   1
_cell_volume   255.271
_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
  Ag  Ag0  1  0.250  0.750  0.500  1.0
  Ag  Ag1  1  0.750  0.250  0.500  1.0
  Pb  Pb2  1  0.500  0.500  0.000  1.0
  I  I3  1  0.000  0.500  0.500  1.0
  I  I4  1  0.245  0.245  0.000  1.0
  I  I5  1  0.500  0.000  0.500  1.0
  I  I6  1  0.755  0.755  0.000  1.0
[/CIF]
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