The compound described by B6O crystallizes in the trigonal R-3m space group. There are two inequivalent B sites. In the first B site, B(1) is bonded in a single-bond geometry to three equivalent B(2) and one O(1) atom. In the second B site, B(2) is bonded in a 6-coordinate geometry to three equivalent B(1) and three equivalent B(2) atoms. O(1) is bonded in a trigonal planar geometry to three equivalent B(1) atoms. is represented by the Crystallographic Information File (CIF) [CIF]
data_B6O
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   5.136
_cell_length_b   5.136
_cell_length_c   5.136
_cell_angle_alpha   63.122
_cell_angle_beta   63.122
_cell_angle_gamma   63.122
_symmetry_Int_Tables_number   1
_cell_volume   102.435
_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
  B  B0  1  0.799  0.324  0.799  1.0
  B  B1  1  0.799  0.799  0.324  1.0
  B  B2  1  0.324  0.799  0.799  1.0
  B  B3  1  0.676  0.201  0.201  1.0
  B  B4  1  0.201  0.676  0.201  1.0
  B  B5  1  0.201  0.201  0.676  1.0
  B  B6  1  0.998  0.667  0.998  1.0
  B  B7  1  0.998  0.998  0.667  1.0
  B  B8  1  0.667  0.998  0.998  1.0
  B  B9  1  0.333  0.002  0.002  1.0
  B  B10  1  0.002  0.333  0.002  1.0
  B  B11  1  0.002  0.002  0.333  1.0
  O  O12  1  0.378  0.378  0.378  1.0
  O  O13  1  0.622  0.622  0.622  1.0
[/CIF]
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The compound described by B6O crystallizes in the trigonal R-3m space group. There are two inequivalent B sites. In the first B site, B(1) is bonded in a single-bond geometry to three equivalent B(2) and one O(1) atom. In the second B site, B(2) is bonded in a 6-coordinate geometry to three equivalent B(1) and three equivalent B(2) atoms. O(1) is bonded in a trigonal planar geometry to three equivalent B(1) atoms. is represented by the Crystallographic Information File (CIF) [CIF]
data_B6O
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   5.136
_cell_length_b   5.136
_cell_length_c   5.136
_cell_angle_alpha   63.122
_cell_angle_beta   63.122
_cell_angle_gamma   63.122
_symmetry_Int_Tables_number   1
_cell_volume   102.435
_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
  B  B0  1  0.799  0.324  0.799  1.0
  B  B1  1  0.799  0.799  0.324  1.0
  B  B2  1  0.324  0.799  0.799  1.0
  B  B3  1  0.676  0.201  0.201  1.0
  B  B4  1  0.201  0.676  0.201  1.0
  B  B5  1  0.201  0.201  0.676  1.0
  B  B6  1  0.998  0.667  0.998  1.0
  B  B7  1  0.998  0.998  0.667  1.0
  B  B8  1  0.667  0.998  0.998  1.0
  B  B9  1  0.333  0.002  0.002  1.0
  B  B10  1  0.002  0.333  0.002  1.0
  B  B11  1  0.002  0.002  0.333  1.0
  O  O12  1  0.378  0.378  0.378  1.0
  O  O13  1  0.622  0.622  0.622  1.0
[/CIF]
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