The material described by BiCl3 is Cementite structured and crystallizes in the orthorhombic Pnma space group. Bi(1) is bonded to two equivalent Cl(2) and four equivalent Cl(1) atoms to form a mixture of distorted edge and corner-sharing BiCl6 pentagonal pyramids. There are two inequivalent Cl sites. In the first Cl site, Cl(2) is bonded in a distorted bent 120 degrees geometry to two equivalent Bi(1) atoms. In the second Cl site, Cl(1) is bonded in a water-like geometry to two equivalent Bi(1) atoms. is represented by the CIF card [CIF]
data_BiCl3
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   6.399
_cell_length_b   7.709
_cell_length_c   8.870
_cell_angle_alpha   90.000
_cell_angle_beta   90.000
_cell_angle_gamma   90.000
_symmetry_Int_Tables_number   1
_cell_volume   437.574
_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
  Bi  Bi0  1  0.509  0.561  0.750  1.0
  Bi  Bi1  1  0.491  0.439  0.250  1.0
  Bi  Bi2  1  0.991  0.061  0.750  1.0
  Bi  Bi3  1  0.009  0.939  0.250  1.0
  Cl  Cl4  1  0.640  0.327  0.938  1.0
  Cl  Cl5  1  0.360  0.673  0.438  1.0
  Cl  Cl6  1  0.860  0.827  0.938  1.0
  Cl  Cl7  1  0.140  0.173  0.438  1.0
  Cl  Cl8  1  0.642  0.053  0.250  1.0
  Cl  Cl9  1  0.358  0.947  0.750  1.0
  Cl  Cl10  1  0.858  0.553  0.250  1.0
  Cl  Cl11  1  0.142  0.447  0.750  1.0
  Cl  Cl12  1  0.140  0.173  0.062  1.0
  Cl  Cl13  1  0.860  0.827  0.562  1.0
  Cl  Cl14  1  0.360  0.673  0.062  1.0
  Cl  Cl15  1  0.640  0.327  0.562  1.0
[/CIF]
.
The material described by BiCl3 is Cementite structured and crystallizes in the orthorhombic Pnma space group. Bi(1) is bonded to two equivalent Cl(2) and four equivalent Cl(1) atoms to form a mixture of distorted edge and corner-sharing BiCl6 pentagonal pyramids. There are two inequivalent Cl sites. In the first Cl site, Cl(2) is bonded in a distorted bent 120 degrees geometry to two equivalent Bi(1) atoms. In the second Cl site, Cl(1) is bonded in a water-like geometry to two equivalent Bi(1) atoms. is represented by the CIF card [CIF]
data_BiCl3
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   6.399
_cell_length_b   7.709
_cell_length_c   8.870
_cell_angle_alpha   90.000
_cell_angle_beta   90.000
_cell_angle_gamma   90.000
_symmetry_Int_Tables_number   1
_cell_volume   437.574
_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
  Bi  Bi0  1  0.509  0.561  0.750  1.0
  Bi  Bi1  1  0.491  0.439  0.250  1.0
  Bi  Bi2  1  0.991  0.061  0.750  1.0
  Bi  Bi3  1  0.009  0.939  0.250  1.0
  Cl  Cl4  1  0.640  0.327  0.938  1.0
  Cl  Cl5  1  0.360  0.673  0.438  1.0
  Cl  Cl6  1  0.860  0.827  0.938  1.0
  Cl  Cl7  1  0.140  0.173  0.438  1.0
  Cl  Cl8  1  0.642  0.053  0.250  1.0
  Cl  Cl9  1  0.358  0.947  0.750  1.0
  Cl  Cl10  1  0.858  0.553  0.250  1.0
  Cl  Cl11  1  0.142  0.447  0.750  1.0
  Cl  Cl12  1  0.140  0.173  0.062  1.0
  Cl  Cl13  1  0.860  0.827  0.562  1.0
  Cl  Cl14  1  0.360  0.673  0.062  1.0
  Cl  Cl15  1  0.640  0.327  0.562  1.0
[/CIF]
.