The material structure described by GdO2Br crystallizes in the monoclinic P2_1/m space group. Gd(1) is bonded in a 6-coordinate geometry to three equivalent O(1), three equivalent O(2), and three equivalent Br(1) atoms. There are two inequivalent O sites. In the first O site, O(1) is bonded in a trigonal non-coplanar geometry to three equivalent Gd(1) atoms. In the second O site, O(2) is bonded in a trigonal non-coplanar geometry to three equivalent Gd(1) atoms. Br(1) is bonded in a distorted trigonal non-coplanar geometry to three equivalent Gd(1) atoms. is represented by the Crystallographic Information File (CIF) [CIF]
data_GdBrO2
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   3.833
_cell_length_b   6.064
_cell_length_c   6.931
_cell_angle_alpha   64.593
_cell_angle_beta   90.000
_cell_angle_gamma   90.000
_symmetry_Int_Tables_number   1
_cell_volume   145.500
_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
  Gd  Gd0  1  0.250  0.204  0.597  1.0
  Gd  Gd1  1  0.750  0.796  0.403  1.0
  Br  Br2  1  0.250  0.743  0.041  1.0
  Br  Br3  1  0.750  0.257  0.959  1.0
  O  O4  1  0.250  0.598  0.577  1.0
  O  O5  1  0.750  0.402  0.423  1.0
  O  O6  1  0.250  0.039  0.352  1.0
  O  O7  1  0.750  0.961  0.648  1.0
[/CIF]
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The material structure described by GdO2Br crystallizes in the monoclinic P2_1/m space group. Gd(1) is bonded in a 6-coordinate geometry to three equivalent O(1), three equivalent O(2), and three equivalent Br(1) atoms. There are two inequivalent O sites. In the first O site, O(1) is bonded in a trigonal non-coplanar geometry to three equivalent Gd(1) atoms. In the second O site, O(2) is bonded in a trigonal non-coplanar geometry to three equivalent Gd(1) atoms. Br(1) is bonded in a distorted trigonal non-coplanar geometry to three equivalent Gd(1) atoms. is represented by the Crystallographic Information File (CIF) [CIF]
data_GdBrO2
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   3.833
_cell_length_b   6.064
_cell_length_c   6.931
_cell_angle_alpha   64.593
_cell_angle_beta   90.000
_cell_angle_gamma   90.000
_symmetry_Int_Tables_number   1
_cell_volume   145.500
_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
  Gd  Gd0  1  0.250  0.204  0.597  1.0
  Gd  Gd1  1  0.750  0.796  0.403  1.0
  Br  Br2  1  0.250  0.743  0.041  1.0
  Br  Br3  1  0.750  0.257  0.959  1.0
  O  O4  1  0.250  0.598  0.577  1.0
  O  O5  1  0.750  0.402  0.423  1.0
  O  O6  1  0.250  0.039  0.352  1.0
  O  O7  1  0.750  0.961  0.648  1.0
[/CIF]
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