The crystal structure described by Gd3BBr3 is Corundum-derived structured and crystallizes in the cubic I4_132 space group. Gd(1) is bonded to two equivalent B(1) and four equivalent Br(1) atoms to form a mixture of corner and edge-sharing GdB2Br4 octahedra. The corner-sharing octahedral tilt angles range from 7-11°. B(1) is bonded to six equivalent Gd(1) atoms to form edge-sharing BGd6 octahedra. Br(1) is bonded in a rectangular see-saw-like geometry to four equivalent Gd(1) atoms. is represented by the CIF file [CIF]
data_Gd3BBr3
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   9.859
_cell_length_b   9.859
_cell_length_c   9.859
_cell_angle_alpha   109.472
_cell_angle_beta   109.468
_cell_angle_gamma   109.473
_symmetry_Int_Tables_number   1
_cell_volume   737.686
_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
  Gd  Gd0  1  0.460  0.480  0.230  1.0
  Gd  Gd1  1  0.750  0.230  0.270  1.0
  Gd  Gd2  1  0.750  0.020  0.480  1.0
  Gd  Gd3  1  0.230  0.460  0.480  1.0
  Gd  Gd4  1  0.270  0.750  0.230  1.0
  Gd  Gd5  1  0.040  0.270  0.020  1.0
  Gd  Gd6  1  0.020  0.040  0.270  1.0
  Gd  Gd7  1  0.480  0.750  0.020  1.0
  Gd  Gd8  1  0.480  0.230  0.460  1.0
  Gd  Gd9  1  0.020  0.480  0.750  1.0
  Gd  Gd10  1  0.270  0.020  0.040  1.0
  Gd  Gd11  1  0.230  0.270  0.750  1.0
  B  B12  1  0.250  0.250  0.250  1.0
  B  B13  1  0.500  0.000  0.250  1.0
  B  B14  1  0.000  0.250  0.500  1.0
  B  B15  1  0.250  0.500  0.000  1.0
  Br  Br16  1  0.250  0.758  0.742  1.0
  Br  Br17  1  0.516  0.508  0.758  1.0
  Br  Br18  1  0.984  0.742  0.992  1.0
  Br  Br19  1  0.742  0.250  0.758  1.0
  Br  Br20  1  0.992  0.984  0.742  1.0
  Br  Br21  1  0.250  0.992  0.508  1.0
  Br  Br22  1  0.758  0.516  0.508  1.0
  Br  Br23  1  0.508  0.250  0.992  1.0
  Br  Br24  1  0.758  0.742  0.250  1.0
  Br  Br25  1  0.742  0.992  0.984  1.0
  Br  Br26  1  0.992  0.508  0.250  1.0
  Br  Br27  1  0.508  0.758  0.516  1.0
[/CIF]
.
The crystal structure described by Gd3BBr3 is Corundum-derived structured and crystallizes in the cubic I4_132 space group. Gd(1) is bonded to two equivalent B(1) and four equivalent Br(1) atoms to form a mixture of corner and edge-sharing GdB2Br4 octahedra. The corner-sharing octahedral tilt angles range from 7-11°. B(1) is bonded to six equivalent Gd(1) atoms to form edge-sharing BGd6 octahedra. Br(1) is bonded in a rectangular see-saw-like geometry to four equivalent Gd(1) atoms. is represented by the CIF file [CIF]
data_Gd3BBr3
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   9.859
_cell_length_b   9.859
_cell_length_c   9.859
_cell_angle_alpha   109.472
_cell_angle_beta   109.468
_cell_angle_gamma   109.473
_symmetry_Int_Tables_number   1
_cell_volume   737.686
_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
  Gd  Gd0  1  0.460  0.480  0.230  1.0
  Gd  Gd1  1  0.750  0.230  0.270  1.0
  Gd  Gd2  1  0.750  0.020  0.480  1.0
  Gd  Gd3  1  0.230  0.460  0.480  1.0
  Gd  Gd4  1  0.270  0.750  0.230  1.0
  Gd  Gd5  1  0.040  0.270  0.020  1.0
  Gd  Gd6  1  0.020  0.040  0.270  1.0
  Gd  Gd7  1  0.480  0.750  0.020  1.0
  Gd  Gd8  1  0.480  0.230  0.460  1.0
  Gd  Gd9  1  0.020  0.480  0.750  1.0
  Gd  Gd10  1  0.270  0.020  0.040  1.0
  Gd  Gd11  1  0.230  0.270  0.750  1.0
  B  B12  1  0.250  0.250  0.250  1.0
  B  B13  1  0.500  0.000  0.250  1.0
  B  B14  1  0.000  0.250  0.500  1.0
  B  B15  1  0.250  0.500  0.000  1.0
  Br  Br16  1  0.250  0.758  0.742  1.0
  Br  Br17  1  0.516  0.508  0.758  1.0
  Br  Br18  1  0.984  0.742  0.992  1.0
  Br  Br19  1  0.742  0.250  0.758  1.0
  Br  Br20  1  0.992  0.984  0.742  1.0
  Br  Br21  1  0.250  0.992  0.508  1.0
  Br  Br22  1  0.758  0.516  0.508  1.0
  Br  Br23  1  0.508  0.250  0.992  1.0
  Br  Br24  1  0.758  0.742  0.250  1.0
  Br  Br25  1  0.742  0.992  0.984  1.0
  Br  Br26  1  0.992  0.508  0.250  1.0
  Br  Br27  1  0.508  0.758  0.516  1.0
[/CIF]
.