The material structure described by Bi2O2Se is alpha bismuth trifluoride-derived structured and crystallizes in the tetragonal I4/mmm space group. Bi(1) is bonded in a 4-coordinate geometry to four equivalent Se(1) and four equivalent O(1) atoms. Se(1) is bonded in a body-centered cubic geometry to eight equivalent Bi(1) atoms. O(1) is bonded to four equivalent Bi(1) atoms to form a mixture of edge and corner-sharing OBi4 tetrahedra. is represented by the CIF file [CIF]
data_Bi2SeO2
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   3.891
_cell_length_b   3.891
_cell_length_c   6.714
_cell_angle_alpha   106.845
_cell_angle_beta   106.845
_cell_angle_gamma   90.000
_symmetry_Int_Tables_number   1
_cell_volume   92.741
_cell_formula_units_Z   1
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  0.353  0.353  0.705  1.0
  Bi  Bi1  1  0.647  0.647  0.295  1.0
  Se  Se2  1  0.000  0.000  0.000  1.0
  O  O3  1  0.750  0.250  0.500  1.0
  O  O4  1  0.250  0.750  0.500  1.0
[/CIF]
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The material structure described by Bi2O2Se is alpha bismuth trifluoride-derived structured and crystallizes in the tetragonal I4/mmm space group. Bi(1) is bonded in a 4-coordinate geometry to four equivalent Se(1) and four equivalent O(1) atoms. Se(1) is bonded in a body-centered cubic geometry to eight equivalent Bi(1) atoms. O(1) is bonded to four equivalent Bi(1) atoms to form a mixture of edge and corner-sharing OBi4 tetrahedra. is represented by the CIF file [CIF]
data_Bi2SeO2
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   3.891
_cell_length_b   3.891
_cell_length_c   6.714
_cell_angle_alpha   106.845
_cell_angle_beta   106.845
_cell_angle_gamma   90.000
_symmetry_Int_Tables_number   1
_cell_volume   92.741
_cell_formula_units_Z   1
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  0.353  0.353  0.705  1.0
  Bi  Bi1  1  0.647  0.647  0.295  1.0
  Se  Se2  1  0.000  0.000  0.000  1.0
  O  O3  1  0.750  0.250  0.500  1.0
  O  O4  1  0.250  0.750  0.500  1.0
[/CIF]
.