The crystal structure described by AlBi3Se2O8Cl crystallizes in the orthorhombic Pmmn space group. Al(1) is bonded in a square co-planar geometry to two equivalent O(1) and two equivalent O(2) atoms. There are two inequivalent Bi sites. In the first Bi site, Bi(1) is bonded in a 4-coordinate geometry to two equivalent O(1), two equivalent O(3), and two equivalent Cl(1) atoms. In the second Bi site, Bi(2) is bonded in a 4-coordinate geometry to two equivalent O(1) and two equivalent O(2) atoms. Se(1) is bonded in a trigonal non-coplanar geometry to one O(2) and two equivalent O(3) atoms. There are three inequivalent O sites. In the first O site, O(1) is bonded to one Al(1), one Bi(2), and two equivalent Bi(1) atoms to form a mixture of distorted edge and corner-sharing OAlBi3 trigonal pyramids. In the second O site, O(2) is bonded in a distorted trigonal planar geometry to one Al(1), one Bi(2), and one Se(1) atom. In the third O site, O(3) is bonded in a distorted bent 150 degrees geometry to one Bi(1) and one Se(1) atom. Cl(1) is bonded in a distorted square co-planar geometry to four equivalent Bi(1) atoms. is represented by the CIF file [CIF]
data_AlBi3Se2ClO8
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   6.993
_cell_length_b   8.178
_cell_length_c   9.553
_cell_angle_alpha   90.000
_cell_angle_beta   90.000
_cell_angle_gamma   90.000
_symmetry_Int_Tables_number   1
_cell_volume   546.332
_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
  Al  Al0  1  0.679  0.500  0.500  1.0
  Al  Al1  1  0.321  0.000  0.000  1.0
  Bi  Bi2  1  0.000  0.250  0.750  1.0
  Bi  Bi3  1  0.000  0.250  0.250  1.0
  Bi  Bi4  1  0.000  0.750  0.750  1.0
  Bi  Bi5  1  0.850  0.000  0.000  1.0
  Bi  Bi6  1  0.150  0.500  0.500  1.0
  Bi  Bi7  1  0.000  0.750  0.250  1.0
  Se  Se8  1  0.546  0.000  0.690  1.0
  Se  Se9  1  0.454  0.500  0.810  1.0
  Se  Se10  1  0.546  0.000  0.310  1.0
  Se  Se11  1  0.454  0.500  0.190  1.0
  Cl  Cl12  1  0.921  0.500  0.000  1.0
  Cl  Cl13  1  0.079  0.000  0.500  1.0
  O  O14  1  0.860  0.500  0.640  1.0
  O  O15  1  0.474  0.500  0.623  1.0
  O  O16  1  0.526  0.000  0.123  1.0
  O  O17  1  0.692  0.166  0.670  1.0
  O  O18  1  0.308  0.334  0.170  1.0
  O  O19  1  0.308  0.666  0.170  1.0
  O  O20  1  0.140  0.000  0.860  1.0
  O  O21  1  0.692  0.834  0.670  1.0
  O  O22  1  0.692  0.834  0.330  1.0
  O  O23  1  0.308  0.666  0.830  1.0
  O  O24  1  0.860  0.500  0.360  1.0
  O  O25  1  0.140  0.000  0.140  1.0
  O  O26  1  0.308  0.334  0.830  1.0
  O  O27  1  0.692  0.166  0.330  1.0
  O  O28  1  0.526  0.000  0.877  1.0
  O  O29  1  0.474  0.500  0.377  1.0
[/CIF]
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The crystal structure described by AlBi3Se2O8Cl crystallizes in the orthorhombic Pmmn space group. Al(1) is bonded in a square co-planar geometry to two equivalent O(1) and two equivalent O(2) atoms. There are two inequivalent Bi sites. In the first Bi site, Bi(1) is bonded in a 4-coordinate geometry to two equivalent O(1), two equivalent O(3), and two equivalent Cl(1) atoms. In the second Bi site, Bi(2) is bonded in a 4-coordinate geometry to two equivalent O(1) and two equivalent O(2) atoms. Se(1) is bonded in a trigonal non-coplanar geometry to one O(2) and two equivalent O(3) atoms. There are three inequivalent O sites. In the first O site, O(1) is bonded to one Al(1), one Bi(2), and two equivalent Bi(1) atoms to form a mixture of distorted edge and corner-sharing OAlBi3 trigonal pyramids. In the second O site, O(2) is bonded in a distorted trigonal planar geometry to one Al(1), one Bi(2), and one Se(1) atom. In the third O site, O(3) is bonded in a distorted bent 150 degrees geometry to one Bi(1) and one Se(1) atom. Cl(1) is bonded in a distorted square co-planar geometry to four equivalent Bi(1) atoms. is represented by the CIF file [CIF]
data_AlBi3Se2ClO8
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   6.993
_cell_length_b   8.178
_cell_length_c   9.553
_cell_angle_alpha   90.000
_cell_angle_beta   90.000
_cell_angle_gamma   90.000
_symmetry_Int_Tables_number   1
_cell_volume   546.332
_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
  Al  Al0  1  0.679  0.500  0.500  1.0
  Al  Al1  1  0.321  0.000  0.000  1.0
  Bi  Bi2  1  0.000  0.250  0.750  1.0
  Bi  Bi3  1  0.000  0.250  0.250  1.0
  Bi  Bi4  1  0.000  0.750  0.750  1.0
  Bi  Bi5  1  0.850  0.000  0.000  1.0
  Bi  Bi6  1  0.150  0.500  0.500  1.0
  Bi  Bi7  1  0.000  0.750  0.250  1.0
  Se  Se8  1  0.546  0.000  0.690  1.0
  Se  Se9  1  0.454  0.500  0.810  1.0
  Se  Se10  1  0.546  0.000  0.310  1.0
  Se  Se11  1  0.454  0.500  0.190  1.0
  Cl  Cl12  1  0.921  0.500  0.000  1.0
  Cl  Cl13  1  0.079  0.000  0.500  1.0
  O  O14  1  0.860  0.500  0.640  1.0
  O  O15  1  0.474  0.500  0.623  1.0
  O  O16  1  0.526  0.000  0.123  1.0
  O  O17  1  0.692  0.166  0.670  1.0
  O  O18  1  0.308  0.334  0.170  1.0
  O  O19  1  0.308  0.666  0.170  1.0
  O  O20  1  0.140  0.000  0.860  1.0
  O  O21  1  0.692  0.834  0.670  1.0
  O  O22  1  0.692  0.834  0.330  1.0
  O  O23  1  0.308  0.666  0.830  1.0
  O  O24  1  0.860  0.500  0.360  1.0
  O  O25  1  0.140  0.000  0.140  1.0
  O  O26  1  0.308  0.334  0.830  1.0
  O  O27  1  0.692  0.166  0.330  1.0
  O  O28  1  0.526  0.000  0.877  1.0
  O  O29  1  0.474  0.500  0.377  1.0
[/CIF]
.