The crystal structure described by Y3BCl3 crystallizes in the cubic I4_132 space group. Y(1) is bonded to two equivalent B(1) and four equivalent Cl(1) atoms to form a mixture of edge and corner-sharing YB2Cl4 octahedra. The corner-sharing octahedral tilt angles range from 5-8°. B(1) is bonded to six equivalent Y(1) atoms to form edge-sharing BY6 octahedra. Cl(1) is bonded in a rectangular see-saw-like geometry to four equivalent Y(1) atoms. is represented by the Crystallographic Information File (CIF) [CIF]
data_Y3BCl3
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   9.419
_cell_length_b   9.419
_cell_length_c   9.419
_cell_angle_alpha   109.471
_cell_angle_beta   109.471
_cell_angle_gamma   109.472
_symmetry_Int_Tables_number   1
_cell_volume   643.249
_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  0.470  0.485  0.235  1.0
  Y  Y1  1  0.750  0.235  0.265  1.0
  Y  Y2  1  0.750  0.015  0.485  1.0
  Y  Y3  1  0.235  0.470  0.485  1.0
  Y  Y4  1  0.265  0.750  0.235  1.0
  Y  Y5  1  0.030  0.265  0.015  1.0
  Y  Y6  1  0.015  0.030  0.265  1.0
  Y  Y7  1  0.485  0.750  0.015  1.0
  Y  Y8  1  0.485  0.235  0.470  1.0
  Y  Y9  1  0.015  0.485  0.750  1.0
  Y  Y10  1  0.265  0.015  0.030  1.0
  Y  Y11  1  0.235  0.265  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  1.000  0.250  0.500  1.0
  B  B15  1  0.250  0.500  1.000  1.0
  Cl  Cl16  1  0.250  0.756  0.744  1.0
  Cl  Cl17  1  0.513  0.506  0.756  1.0
  Cl  Cl18  1  0.987  0.744  0.994  1.0
  Cl  Cl19  1  0.744  0.250  0.756  1.0
  Cl  Cl20  1  0.994  0.987  0.744  1.0
  Cl  Cl21  1  0.250  0.994  0.506  1.0
  Cl  Cl22  1  0.756  0.513  0.506  1.0
  Cl  Cl23  1  0.506  0.250  0.994  1.0
  Cl  Cl24  1  0.756  0.744  0.250  1.0
  Cl  Cl25  1  0.744  0.994  0.987  1.0
  Cl  Cl26  1  0.994  0.506  0.250  1.0
  Cl  Cl27  1  0.506  0.756  0.513  1.0
[/CIF]
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The crystal structure described by Y3BCl3 crystallizes in the cubic I4_132 space group. Y(1) is bonded to two equivalent B(1) and four equivalent Cl(1) atoms to form a mixture of edge and corner-sharing YB2Cl4 octahedra. The corner-sharing octahedral tilt angles range from 5-8°. B(1) is bonded to six equivalent Y(1) atoms to form edge-sharing BY6 octahedra. Cl(1) is bonded in a rectangular see-saw-like geometry to four equivalent Y(1) atoms. is represented by the Crystallographic Information File (CIF) [CIF]
data_Y3BCl3
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   9.419
_cell_length_b   9.419
_cell_length_c   9.419
_cell_angle_alpha   109.471
_cell_angle_beta   109.471
_cell_angle_gamma   109.472
_symmetry_Int_Tables_number   1
_cell_volume   643.249
_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  0.470  0.485  0.235  1.0
  Y  Y1  1  0.750  0.235  0.265  1.0
  Y  Y2  1  0.750  0.015  0.485  1.0
  Y  Y3  1  0.235  0.470  0.485  1.0
  Y  Y4  1  0.265  0.750  0.235  1.0
  Y  Y5  1  0.030  0.265  0.015  1.0
  Y  Y6  1  0.015  0.030  0.265  1.0
  Y  Y7  1  0.485  0.750  0.015  1.0
  Y  Y8  1  0.485  0.235  0.470  1.0
  Y  Y9  1  0.015  0.485  0.750  1.0
  Y  Y10  1  0.265  0.015  0.030  1.0
  Y  Y11  1  0.235  0.265  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  1.000  0.250  0.500  1.0
  B  B15  1  0.250  0.500  1.000  1.0
  Cl  Cl16  1  0.250  0.756  0.744  1.0
  Cl  Cl17  1  0.513  0.506  0.756  1.0
  Cl  Cl18  1  0.987  0.744  0.994  1.0
  Cl  Cl19  1  0.744  0.250  0.756  1.0
  Cl  Cl20  1  0.994  0.987  0.744  1.0
  Cl  Cl21  1  0.250  0.994  0.506  1.0
  Cl  Cl22  1  0.756  0.513  0.506  1.0
  Cl  Cl23  1  0.506  0.250  0.994  1.0
  Cl  Cl24  1  0.756  0.744  0.250  1.0
  Cl  Cl25  1  0.744  0.994  0.987  1.0
  Cl  Cl26  1  0.994  0.506  0.250  1.0
  Cl  Cl27  1  0.506  0.756  0.513  1.0
[/CIF]
.