The compound described by AgPb2Br5 crystallizes in the monoclinic C2/c space group. Ag(1) is bonded to two equivalent Br(3) and four equivalent Br(1) atoms to form corner-sharing AgBr6 octahedra. The corner-sharing octahedral tilt angles are 40°. Pb(1) is bonded in a 6-coordinate geometry to two equivalent Br(1), two equivalent Br(2), and two equivalent Br(3) atoms. There are three inequivalent Br sites. In the first Br site, Br(1) is bonded in a 4-coordinate geometry to two equivalent Ag(1) and two equivalent Pb(1) atoms. In the second Br site, Br(2) is bonded to four equivalent Pb(1) atoms to form distorted edge-sharing BrPb4 trigonal pyramids. In the third Br site, Br(3) is bonded in a 3-coordinate geometry to one Ag(1) and two equivalent Pb(1) atoms. is represented by the Crystallographic Information File (CIF) [CIF]
data_AgPb2Br5
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   9.167
_cell_length_b   9.167
_cell_length_c   8.092
_cell_angle_alpha   84.585
_cell_angle_beta   84.585
_cell_angle_gamma   46.145
_symmetry_Int_Tables_number   1
_cell_volume   487.719
_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
  Ag  Ag0  1  0.000  0.500  0.000  1.0
  Ag  Ag1  1  0.500  0.000  0.500  1.0
  Pb  Pb2  1  0.336  0.871  0.936  1.0
  Pb  Pb3  1  0.664  0.129  0.064  1.0
  Pb  Pb4  1  0.871  0.336  0.436  1.0
  Pb  Pb5  1  0.129  0.664  0.564  1.0
  Br  Br6  1  0.306  0.136  0.180  1.0
  Br  Br7  1  0.074  0.926  0.250  1.0
  Br  Br8  1  0.694  0.864  0.820  1.0
  Br  Br9  1  0.529  0.296  0.421  1.0
  Br  Br10  1  0.296  0.529  0.921  1.0
  Br  Br11  1  0.471  0.704  0.579  1.0
  Br  Br12  1  0.704  0.471  0.079  1.0
  Br  Br13  1  0.864  0.694  0.320  1.0
  Br  Br14  1  0.136  0.306  0.680  1.0
  Br  Br15  1  0.926  0.074  0.750  1.0
[/CIF]
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The compound described by AgPb2Br5 crystallizes in the monoclinic C2/c space group. Ag(1) is bonded to two equivalent Br(3) and four equivalent Br(1) atoms to form corner-sharing AgBr6 octahedra. The corner-sharing octahedral tilt angles are 40°. Pb(1) is bonded in a 6-coordinate geometry to two equivalent Br(1), two equivalent Br(2), and two equivalent Br(3) atoms. There are three inequivalent Br sites. In the first Br site, Br(1) is bonded in a 4-coordinate geometry to two equivalent Ag(1) and two equivalent Pb(1) atoms. In the second Br site, Br(2) is bonded to four equivalent Pb(1) atoms to form distorted edge-sharing BrPb4 trigonal pyramids. In the third Br site, Br(3) is bonded in a 3-coordinate geometry to one Ag(1) and two equivalent Pb(1) atoms. is represented by the Crystallographic Information File (CIF) [CIF]
data_AgPb2Br5
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   9.167
_cell_length_b   9.167
_cell_length_c   8.092
_cell_angle_alpha   84.585
_cell_angle_beta   84.585
_cell_angle_gamma   46.145
_symmetry_Int_Tables_number   1
_cell_volume   487.719
_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
  Ag  Ag0  1  0.000  0.500  0.000  1.0
  Ag  Ag1  1  0.500  0.000  0.500  1.0
  Pb  Pb2  1  0.336  0.871  0.936  1.0
  Pb  Pb3  1  0.664  0.129  0.064  1.0
  Pb  Pb4  1  0.871  0.336  0.436  1.0
  Pb  Pb5  1  0.129  0.664  0.564  1.0
  Br  Br6  1  0.306  0.136  0.180  1.0
  Br  Br7  1  0.074  0.926  0.250  1.0
  Br  Br8  1  0.694  0.864  0.820  1.0
  Br  Br9  1  0.529  0.296  0.421  1.0
  Br  Br10  1  0.296  0.529  0.921  1.0
  Br  Br11  1  0.471  0.704  0.579  1.0
  Br  Br12  1  0.704  0.471  0.079  1.0
  Br  Br13  1  0.864  0.694  0.320  1.0
  Br  Br14  1  0.136  0.306  0.680  1.0
  Br  Br15  1  0.926  0.074  0.750  1.0
[/CIF]
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