The material described by LaO2Br crystallizes in the monoclinic P2_1/m space group. La(1) is bonded in a 10-coordinate geometry to three equivalent O(2), four equivalent O(1), and three equivalent Br(1) atoms. There are two inequivalent O sites. In the first O site, O(1) is bonded in a 5-coordinate geometry to four equivalent La(1) and one O(2) atom. In the second O site, O(2) is bonded to three equivalent La(1) and one O(1) atom to form a mixture of corner and edge-sharing OLa3O trigonal pyramids. Br(1) is bonded in a distorted trigonal non-coplanar geometry to three equivalent La(1) atoms. is represented by the CIF card [CIF]
data_LaBrO2
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   4.484
_cell_length_b   5.257
_cell_length_c   6.881
_cell_angle_alpha   73.403
_cell_angle_beta   90.000
_cell_angle_gamma   90.000
_symmetry_Int_Tables_number   1
_cell_volume   155.432
_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
  La  La0  1  0.250  0.193  0.654  1.0
  La  La1  1  0.750  0.807  0.346  1.0
  Br  Br2  1  0.250  0.218  0.099  1.0
  Br  Br3  1  0.750  0.782  0.901  1.0
  O  O4  1  0.250  0.752  0.544  1.0
  O  O5  1  0.750  0.248  0.456  1.0
  O  O6  1  0.250  0.618  0.382  1.0
  O  O7  1  0.750  0.382  0.618  1.0
[/CIF]
.
The material described by LaO2Br crystallizes in the monoclinic P2_1/m space group. La(1) is bonded in a 10-coordinate geometry to three equivalent O(2), four equivalent O(1), and three equivalent Br(1) atoms. There are two inequivalent O sites. In the first O site, O(1) is bonded in a 5-coordinate geometry to four equivalent La(1) and one O(2) atom. In the second O site, O(2) is bonded to three equivalent La(1) and one O(1) atom to form a mixture of corner and edge-sharing OLa3O trigonal pyramids. Br(1) is bonded in a distorted trigonal non-coplanar geometry to three equivalent La(1) atoms. is represented by the CIF card [CIF]
data_LaBrO2
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   4.484
_cell_length_b   5.257
_cell_length_c   6.881
_cell_angle_alpha   73.403
_cell_angle_beta   90.000
_cell_angle_gamma   90.000
_symmetry_Int_Tables_number   1
_cell_volume   155.432
_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
  La  La0  1  0.250  0.193  0.654  1.0
  La  La1  1  0.750  0.807  0.346  1.0
  Br  Br2  1  0.250  0.218  0.099  1.0
  Br  Br3  1  0.750  0.782  0.901  1.0
  O  O4  1  0.250  0.752  0.544  1.0
  O  O5  1  0.750  0.248  0.456  1.0
  O  O6  1  0.250  0.618  0.382  1.0
  O  O7  1  0.750  0.382  0.618  1.0
[/CIF]
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