The material structure described by BiSeO3Cl crystallizes in the orthorhombic P2_12_12_1 space group. Bi(1) is bonded in a 7-coordinate geometry to one O(3), two equivalent O(1), two equivalent O(2), and two equivalent Cl(1) atoms. Se(1) is bonded in a distorted trigonal non-coplanar geometry to one O(1), one O(2), and one O(3) atom. There are three inequivalent O sites. In the first O site, O(1) is bonded in a distorted trigonal planar geometry to two equivalent Bi(1) and one Se(1) atom. In the second O site, O(2) is bonded in a distorted trigonal planar geometry to two equivalent Bi(1) and one Se(1) atom. In the third O site, O(3) is bonded in a bent 120 degrees geometry to one Bi(1) and one Se(1) atom. Cl(1) is bonded in an L-shaped geometry to two equivalent Bi(1) atoms. is represented by the Crystallographic Information File (CIF) [CIF]
data_BiSeClO3
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   6.450
_cell_length_b   7.932
_cell_length_c   8.648
_cell_angle_alpha   90.000
_cell_angle_beta   90.000
_cell_angle_gamma   90.000
_symmetry_Int_Tables_number   1
_cell_volume   442.459
_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  0.967  0.803  0.829  1.0
  Bi  Bi1  1  0.467  0.697  0.171  1.0
  Bi  Bi2  1  0.533  0.197  0.329  1.0
  Bi  Bi3  1  0.033  0.303  0.671  1.0
  Se  Se4  1  0.849  0.905  0.450  1.0
  Se  Se5  1  0.349  0.595  0.550  1.0
  Se  Se6  1  0.151  0.405  0.050  1.0
  Se  Se7  1  0.651  0.095  0.950  1.0
  Cl  Cl8  1  0.757  0.485  0.354  1.0
  Cl  Cl9  1  0.243  0.985  0.146  1.0
  Cl  Cl10  1  0.743  0.515  0.854  1.0
  Cl  Cl11  1  0.257  0.015  0.646  1.0
  O  O12  1  0.118  0.609  0.649  1.0
  O  O13  1  0.165  0.623  0.033  1.0
  O  O14  1  0.263  0.658  0.373  1.0
  O  O15  1  0.618  0.891  0.351  1.0
  O  O16  1  0.763  0.842  0.627  1.0
  O  O17  1  0.335  0.377  0.533  1.0
  O  O18  1  0.737  0.158  0.127  1.0
  O  O19  1  0.835  0.123  0.467  1.0
  O  O20  1  0.665  0.877  0.967  1.0
  O  O21  1  0.882  0.109  0.851  1.0
  O  O22  1  0.382  0.391  0.149  1.0
  O  O23  1  0.237  0.342  0.873  1.0
[/CIF]
.
The material structure described by BiSeO3Cl crystallizes in the orthorhombic P2_12_12_1 space group. Bi(1) is bonded in a 7-coordinate geometry to one O(3), two equivalent O(1), two equivalent O(2), and two equivalent Cl(1) atoms. Se(1) is bonded in a distorted trigonal non-coplanar geometry to one O(1), one O(2), and one O(3) atom. There are three inequivalent O sites. In the first O site, O(1) is bonded in a distorted trigonal planar geometry to two equivalent Bi(1) and one Se(1) atom. In the second O site, O(2) is bonded in a distorted trigonal planar geometry to two equivalent Bi(1) and one Se(1) atom. In the third O site, O(3) is bonded in a bent 120 degrees geometry to one Bi(1) and one Se(1) atom. Cl(1) is bonded in an L-shaped geometry to two equivalent Bi(1) atoms. is represented by the Crystallographic Information File (CIF) [CIF]
data_BiSeClO3
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   6.450
_cell_length_b   7.932
_cell_length_c   8.648
_cell_angle_alpha   90.000
_cell_angle_beta   90.000
_cell_angle_gamma   90.000
_symmetry_Int_Tables_number   1
_cell_volume   442.459
_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  0.967  0.803  0.829  1.0
  Bi  Bi1  1  0.467  0.697  0.171  1.0
  Bi  Bi2  1  0.533  0.197  0.329  1.0
  Bi  Bi3  1  0.033  0.303  0.671  1.0
  Se  Se4  1  0.849  0.905  0.450  1.0
  Se  Se5  1  0.349  0.595  0.550  1.0
  Se  Se6  1  0.151  0.405  0.050  1.0
  Se  Se7  1  0.651  0.095  0.950  1.0
  Cl  Cl8  1  0.757  0.485  0.354  1.0
  Cl  Cl9  1  0.243  0.985  0.146  1.0
  Cl  Cl10  1  0.743  0.515  0.854  1.0
  Cl  Cl11  1  0.257  0.015  0.646  1.0
  O  O12  1  0.118  0.609  0.649  1.0
  O  O13  1  0.165  0.623  0.033  1.0
  O  O14  1  0.263  0.658  0.373  1.0
  O  O15  1  0.618  0.891  0.351  1.0
  O  O16  1  0.763  0.842  0.627  1.0
  O  O17  1  0.335  0.377  0.533  1.0
  O  O18  1  0.737  0.158  0.127  1.0
  O  O19  1  0.835  0.123  0.467  1.0
  O  O20  1  0.665  0.877  0.967  1.0
  O  O21  1  0.882  0.109  0.851  1.0
  O  O22  1  0.382  0.391  0.149  1.0
  O  O23  1  0.237  0.342  0.873  1.0
[/CIF]
.