The material described by PbClBr crystallizes in the orthorhombic Pnma space group. Pb(1) is bonded in a 7-coordinate geometry to three equivalent Br(1) and four equivalent Cl(1) atoms. Br(1) is bonded in a distorted trigonal non-coplanar geometry to three equivalent Pb(1) atoms. Cl(1) is bonded to four equivalent Pb(1) atoms to form a mixture of distorted corner and edge-sharing ClPb4 tetrahedra. is represented by the CIF card [CIF]
data_PbBrCl
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   4.623
_cell_length_b   7.831
_cell_length_c   9.296
_cell_angle_alpha   90.000
_cell_angle_beta   90.000
_cell_angle_gamma   90.000
_symmetry_Int_Tables_number   1
_cell_volume   336.525
_cell_formula_units_Z   4
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  0.250  0.751  0.903  1.0
  Pb  Pb1  1  0.750  0.249  0.097  1.0
  Pb  Pb2  1  0.250  0.251  0.597  1.0
  Pb  Pb3  1  0.750  0.749  0.403  1.0
  Br  Br4  1  0.750  0.475  0.834  1.0
  Br  Br5  1  0.250  0.025  0.334  1.0
  Br  Br6  1  0.750  0.975  0.666  1.0
  Br  Br7  1  0.250  0.525  0.166  1.0
  Cl  Cl8  1  0.750  0.358  0.430  1.0
  Cl  Cl9  1  0.250  0.142  0.930  1.0
  Cl  Cl10  1  0.750  0.858  0.070  1.0
  Cl  Cl11  1  0.250  0.642  0.570  1.0
[/CIF]
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The material described by PbClBr crystallizes in the orthorhombic Pnma space group. Pb(1) is bonded in a 7-coordinate geometry to three equivalent Br(1) and four equivalent Cl(1) atoms. Br(1) is bonded in a distorted trigonal non-coplanar geometry to three equivalent Pb(1) atoms. Cl(1) is bonded to four equivalent Pb(1) atoms to form a mixture of distorted corner and edge-sharing ClPb4 tetrahedra. is represented by the CIF card [CIF]
data_PbBrCl
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   4.623
_cell_length_b   7.831
_cell_length_c   9.296
_cell_angle_alpha   90.000
_cell_angle_beta   90.000
_cell_angle_gamma   90.000
_symmetry_Int_Tables_number   1
_cell_volume   336.525
_cell_formula_units_Z   4
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  0.250  0.751  0.903  1.0
  Pb  Pb1  1  0.750  0.249  0.097  1.0
  Pb  Pb2  1  0.250  0.251  0.597  1.0
  Pb  Pb3  1  0.750  0.749  0.403  1.0
  Br  Br4  1  0.750  0.475  0.834  1.0
  Br  Br5  1  0.250  0.025  0.334  1.0
  Br  Br6  1  0.750  0.975  0.666  1.0
  Br  Br7  1  0.250  0.525  0.166  1.0
  Cl  Cl8  1  0.750  0.358  0.430  1.0
  Cl  Cl9  1  0.250  0.142  0.930  1.0
  Cl  Cl10  1  0.750  0.858  0.070  1.0
  Cl  Cl11  1  0.250  0.642  0.570  1.0
[/CIF]
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