The material structure described by BiSeO3Cl crystallizes in the orthorhombic Pnma space group. Bi(1) is bonded in a 8-coordinate geometry to one O(1), four equivalent O(2), and three equivalent Cl(1) atoms. Se(1) is bonded in a distorted T-shaped geometry to one O(1) and two equivalent O(2) atoms. There are two inequivalent O sites. In the first O site, O(1) is bonded in a bent 120 degrees geometry to one Bi(1) and one Se(1) atom. In the second O site, O(2) is bonded in a distorted trigonal non-coplanar geometry to two equivalent Bi(1) and one Se(1) atom. Cl(1) is bonded in a trigonal non-coplanar geometry to three equivalent Bi(1) atoms. is represented by the CIF card [CIF]
data_BiSeClO3
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   5.324
_cell_length_b   6.905
_cell_length_c   11.921
_cell_angle_alpha   90.000
_cell_angle_beta   90.000
_cell_angle_gamma   90.000
_symmetry_Int_Tables_number   1
_cell_volume   438.299
_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  0.323  0.704  0.546  1.0
  Bi  Bi1  1  0.823  0.296  0.454  1.0
  Bi  Bi2  1  0.323  0.796  0.046  1.0
  Bi  Bi3  1  0.823  0.204  0.954  1.0
  Se  Se4  1  0.823  0.988  0.211  1.0
  Se  Se5  1  0.323  0.488  0.289  1.0
  Se  Se6  1  0.323  0.012  0.789  1.0
  Se  Se7  1  0.823  0.512  0.711  1.0
  Cl  Cl8  1  0.324  0.391  0.941  1.0
  Cl  Cl9  1  0.324  0.109  0.441  1.0
  Cl  Cl10  1  0.824  0.891  0.559  1.0
  Cl  Cl11  1  0.824  0.609  0.059  1.0
  O  O12  1  0.823  0.290  0.771  1.0
  O  O13  1  0.084  0.971  0.885  1.0
  O  O14  1  0.823  0.210  0.271  1.0
  O  O15  1  0.062  0.029  0.115  1.0
  O  O16  1  0.062  0.471  0.615  1.0
  O  O17  1  0.584  0.029  0.115  1.0
  O  O18  1  0.562  0.529  0.385  1.0
  O  O19  1  0.562  0.971  0.885  1.0
  O  O20  1  0.323  0.710  0.229  1.0
  O  O21  1  0.584  0.471  0.615  1.0
  O  O22  1  0.084  0.529  0.385  1.0
  O  O23  1  0.323  0.790  0.729  1.0
[/CIF]
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The material structure described by BiSeO3Cl crystallizes in the orthorhombic Pnma space group. Bi(1) is bonded in a 8-coordinate geometry to one O(1), four equivalent O(2), and three equivalent Cl(1) atoms. Se(1) is bonded in a distorted T-shaped geometry to one O(1) and two equivalent O(2) atoms. There are two inequivalent O sites. In the first O site, O(1) is bonded in a bent 120 degrees geometry to one Bi(1) and one Se(1) atom. In the second O site, O(2) is bonded in a distorted trigonal non-coplanar geometry to two equivalent Bi(1) and one Se(1) atom. Cl(1) is bonded in a trigonal non-coplanar geometry to three equivalent Bi(1) atoms. is represented by the CIF card [CIF]
data_BiSeClO3
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   5.324
_cell_length_b   6.905
_cell_length_c   11.921
_cell_angle_alpha   90.000
_cell_angle_beta   90.000
_cell_angle_gamma   90.000
_symmetry_Int_Tables_number   1
_cell_volume   438.299
_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  0.323  0.704  0.546  1.0
  Bi  Bi1  1  0.823  0.296  0.454  1.0
  Bi  Bi2  1  0.323  0.796  0.046  1.0
  Bi  Bi3  1  0.823  0.204  0.954  1.0
  Se  Se4  1  0.823  0.988  0.211  1.0
  Se  Se5  1  0.323  0.488  0.289  1.0
  Se  Se6  1  0.323  0.012  0.789  1.0
  Se  Se7  1  0.823  0.512  0.711  1.0
  Cl  Cl8  1  0.324  0.391  0.941  1.0
  Cl  Cl9  1  0.324  0.109  0.441  1.0
  Cl  Cl10  1  0.824  0.891  0.559  1.0
  Cl  Cl11  1  0.824  0.609  0.059  1.0
  O  O12  1  0.823  0.290  0.771  1.0
  O  O13  1  0.084  0.971  0.885  1.0
  O  O14  1  0.823  0.210  0.271  1.0
  O  O15  1  0.062  0.029  0.115  1.0
  O  O16  1  0.062  0.471  0.615  1.0
  O  O17  1  0.584  0.029  0.115  1.0
  O  O18  1  0.562  0.529  0.385  1.0
  O  O19  1  0.562  0.971  0.885  1.0
  O  O20  1  0.323  0.710  0.229  1.0
  O  O21  1  0.584  0.471  0.615  1.0
  O  O22  1  0.084  0.529  0.385  1.0
  O  O23  1  0.323  0.790  0.729  1.0
[/CIF]
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