The compound described by Y3BBr3 is Corundum-derived structured and crystallizes in the cubic I4_132 space group. Y(1) is bonded to two equivalent B(1) and four equivalent Br(1) atoms to form a mixture of edge and corner-sharing YB2Br4 octahedra. The corner-sharing octahedral tilt angles range from 7-11°. B(1) is bonded to six equivalent Y(1) atoms to form edge-sharing BY6 octahedra. Br(1) is bonded in a rectangular see-saw-like geometry to four equivalent Y(1) atoms. is represented by the CIF file [CIF]
data_Y3BBr3
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   9.723
_cell_length_b   9.723
_cell_length_c   9.723
_cell_angle_alpha   109.471
_cell_angle_beta   109.471
_cell_angle_gamma   109.471
_symmetry_Int_Tables_number   1
_cell_volume   707.542
_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
  Y  Y0  1  0.461  0.480  0.230  1.0
  Y  Y1  1  0.750  0.230  0.270  1.0
  Y  Y2  1  0.750  0.020  0.480  1.0
  Y  Y3  1  0.230  0.461  0.480  1.0
  Y  Y4  1  0.270  0.750  0.230  1.0
  Y  Y5  1  0.039  0.270  0.020  1.0
  Y  Y6  1  0.020  0.039  0.270  1.0
  Y  Y7  1  0.480  0.750  0.020  1.0
  Y  Y8  1  0.480  0.230  0.461  1.0
  Y  Y9  1  0.020  0.480  0.750  1.0
  Y  Y10  1  0.270  0.020  0.039  1.0
  Y  Y11  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  1.000  1.0
  Br  Br16  1  0.250  0.759  0.741  1.0
  Br  Br17  1  0.517  0.509  0.759  1.0
  Br  Br18  1  0.983  0.741  0.991  1.0
  Br  Br19  1  0.741  0.250  0.759  1.0
  Br  Br20  1  0.991  0.983  0.741  1.0
  Br  Br21  1  0.250  0.991  0.509  1.0
  Br  Br22  1  0.759  0.517  0.509  1.0
  Br  Br23  1  0.509  0.250  0.991  1.0
  Br  Br24  1  0.759  0.741  0.250  1.0
  Br  Br25  1  0.741  0.991  0.983  1.0
  Br  Br26  1  0.991  0.509  0.250  1.0
  Br  Br27  1  0.509  0.759  0.517  1.0
[/CIF]
.
The compound described by Y3BBr3 is Corundum-derived structured and crystallizes in the cubic I4_132 space group. Y(1) is bonded to two equivalent B(1) and four equivalent Br(1) atoms to form a mixture of edge and corner-sharing YB2Br4 octahedra. The corner-sharing octahedral tilt angles range from 7-11°. B(1) is bonded to six equivalent Y(1) atoms to form edge-sharing BY6 octahedra. Br(1) is bonded in a rectangular see-saw-like geometry to four equivalent Y(1) atoms. is represented by the CIF file [CIF]
data_Y3BBr3
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   9.723
_cell_length_b   9.723
_cell_length_c   9.723
_cell_angle_alpha   109.471
_cell_angle_beta   109.471
_cell_angle_gamma   109.471
_symmetry_Int_Tables_number   1
_cell_volume   707.542
_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
  Y  Y0  1  0.461  0.480  0.230  1.0
  Y  Y1  1  0.750  0.230  0.270  1.0
  Y  Y2  1  0.750  0.020  0.480  1.0
  Y  Y3  1  0.230  0.461  0.480  1.0
  Y  Y4  1  0.270  0.750  0.230  1.0
  Y  Y5  1  0.039  0.270  0.020  1.0
  Y  Y6  1  0.020  0.039  0.270  1.0
  Y  Y7  1  0.480  0.750  0.020  1.0
  Y  Y8  1  0.480  0.230  0.461  1.0
  Y  Y9  1  0.020  0.480  0.750  1.0
  Y  Y10  1  0.270  0.020  0.039  1.0
  Y  Y11  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  1.000  1.0
  Br  Br16  1  0.250  0.759  0.741  1.0
  Br  Br17  1  0.517  0.509  0.759  1.0
  Br  Br18  1  0.983  0.741  0.991  1.0
  Br  Br19  1  0.741  0.250  0.759  1.0
  Br  Br20  1  0.991  0.983  0.741  1.0
  Br  Br21  1  0.250  0.991  0.509  1.0
  Br  Br22  1  0.759  0.517  0.509  1.0
  Br  Br23  1  0.509  0.250  0.991  1.0
  Br  Br24  1  0.759  0.741  0.250  1.0
  Br  Br25  1  0.741  0.991  0.983  1.0
  Br  Br26  1  0.991  0.509  0.250  1.0
  Br  Br27  1  0.509  0.759  0.517  1.0
[/CIF]
.