The compound described by BaO6 crystallizes in the monoclinic C2/c space group. Ba(1) is bonded in a 12-coordinate geometry to four equivalent O(1), four equivalent O(2), and four equivalent O(3) atoms. There are three inequivalent O sites. In the first O site, O(2) is bonded in a 3-coordinate geometry to two equivalent Ba(1) and one O(1) atom. In the second O site, O(1) is bonded in a distorted trigonal non-coplanar geometry to two equivalent Ba(1) and one O(2) atom. In the third O site, O(3) is bonded in a distorted T-shaped geometry to two equivalent Ba(1) and one O(3) atom. is represented by the CIF file [CIF]
data_BaO6
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   5.686
_cell_length_b   5.686
_cell_length_c   8.046
_cell_angle_alpha   87.802
_cell_angle_beta   87.802
_cell_angle_gamma   67.810
_symmetry_Int_Tables_number   1
_cell_volume   240.596
_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
  Ba  Ba0  1  0.227  0.773  0.750  1.0
  Ba  Ba1  1  0.773  0.227  0.250  1.0
  O  O2  1  0.790  0.880  0.535  1.0
  O  O3  1  0.120  0.210  0.965  1.0
  O  O4  1  0.210  0.120  0.465  1.0
  O  O5  1  0.880  0.790  0.035  1.0
  O  O6  1  0.662  0.949  0.672  1.0
  O  O7  1  0.051  0.338  0.828  1.0
  O  O8  1  0.338  0.051  0.328  1.0
  O  O9  1  0.949  0.662  0.172  1.0
  O  O10  1  0.606  0.482  0.542  1.0
  O  O11  1  0.518  0.394  0.958  1.0
  O  O12  1  0.394  0.518  0.458  1.0
  O  O13  1  0.482  0.606  0.042  1.0
[/CIF]
.
The compound described by BaO6 crystallizes in the monoclinic C2/c space group. Ba(1) is bonded in a 12-coordinate geometry to four equivalent O(1), four equivalent O(2), and four equivalent O(3) atoms. There are three inequivalent O sites. In the first O site, O(2) is bonded in a 3-coordinate geometry to two equivalent Ba(1) and one O(1) atom. In the second O site, O(1) is bonded in a distorted trigonal non-coplanar geometry to two equivalent Ba(1) and one O(2) atom. In the third O site, O(3) is bonded in a distorted T-shaped geometry to two equivalent Ba(1) and one O(3) atom. is represented by the CIF file [CIF]
data_BaO6
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   5.686
_cell_length_b   5.686
_cell_length_c   8.046
_cell_angle_alpha   87.802
_cell_angle_beta   87.802
_cell_angle_gamma   67.810
_symmetry_Int_Tables_number   1
_cell_volume   240.596
_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
  Ba  Ba0  1  0.227  0.773  0.750  1.0
  Ba  Ba1  1  0.773  0.227  0.250  1.0
  O  O2  1  0.790  0.880  0.535  1.0
  O  O3  1  0.120  0.210  0.965  1.0
  O  O4  1  0.210  0.120  0.465  1.0
  O  O5  1  0.880  0.790  0.035  1.0
  O  O6  1  0.662  0.949  0.672  1.0
  O  O7  1  0.051  0.338  0.828  1.0
  O  O8  1  0.338  0.051  0.328  1.0
  O  O9  1  0.949  0.662  0.172  1.0
  O  O10  1  0.606  0.482  0.542  1.0
  O  O11  1  0.518  0.394  0.958  1.0
  O  O12  1  0.394  0.518  0.458  1.0
  O  O13  1  0.482  0.606  0.042  1.0
[/CIF]
.