The crystal structure described by BaO11Cl2 crystallizes in the hexagonal P6_3/m space group. Ba(1) is bonded to six equivalent O(2) and six equivalent O(3) atoms to form distorted BaO12 cuboctahedra that share corners with six equivalent Cl(1)O4 tetrahedra and faces with two equivalent Ba(1)O12 cuboctahedra. There are three inequivalent O sites. In the first O site, O(1) is bonded in a single-bond geometry to one Cl(1) atom. In the second O site, O(2) is bonded in a 2-coordinate geometry to one Ba(1) and one Cl(1) atom. In the third O site, O(3) is bonded in a 4-coordinate geometry to two equivalent Ba(1) and two equivalent O(3) atoms. Cl(1) is bonded to one O(1) and three equivalent O(2) atoms to form ClO4 tetrahedra that share corners with three equivalent Ba(1)O12 cuboctahedra. is represented by the Crystallographic Information File (CIF) [CIF]
data_BaCl2O11
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   6.835
_cell_length_b   6.835
_cell_length_c   11.457
_cell_angle_alpha   90.000
_cell_angle_beta   90.000
_cell_angle_gamma   120.000
_symmetry_Int_Tables_number   1
_cell_volume   463.547
_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  0.000  0.000  0.500  1.0
  Ba  Ba1  1  0.000  0.000  0.000  1.0
  Cl  Cl2  1  0.667  0.333  0.539  1.0
  Cl  Cl3  1  0.333  0.667  0.039  1.0
  Cl  Cl4  1  0.333  0.667  0.461  1.0
  Cl  Cl5  1  0.667  0.333  0.961  1.0
  O  O6  1  0.667  0.333  0.413  1.0
  O  O7  1  0.333  0.667  0.913  1.0
  O  O8  1  0.333  0.667  0.587  1.0
  O  O9  1  0.667  0.333  0.087  1.0
  O  O10  1  0.738  0.561  0.583  1.0
  O  O11  1  0.439  0.177  0.583  1.0
  O  O12  1  0.823  0.262  0.583  1.0
  O  O13  1  0.262  0.439  0.083  1.0
  O  O14  1  0.561  0.823  0.083  1.0
  O  O15  1  0.177  0.738  0.083  1.0
  O  O16  1  0.262  0.439  0.417  1.0
  O  O17  1  0.561  0.823  0.417  1.0
  O  O18  1  0.177  0.738  0.417  1.0
  O  O19  1  0.738  0.561  0.917  1.0
  O  O20  1  0.439  0.177  0.917  1.0
  O  O21  1  0.823  0.262  0.917  1.0
  O  O22  1  0.049  0.908  0.750  1.0
  O  O23  1  0.092  0.141  0.750  1.0
  O  O24  1  0.859  0.951  0.750  1.0
  O  O25  1  0.951  0.092  0.250  1.0
  O  O26  1  0.908  0.859  0.250  1.0
  O  O27  1  0.141  0.049  0.250  1.0
[/CIF]
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The crystal structure described by BaO11Cl2 crystallizes in the hexagonal P6_3/m space group. Ba(1) is bonded to six equivalent O(2) and six equivalent O(3) atoms to form distorted BaO12 cuboctahedra that share corners with six equivalent Cl(1)O4 tetrahedra and faces with two equivalent Ba(1)O12 cuboctahedra. There are three inequivalent O sites. In the first O site, O(1) is bonded in a single-bond geometry to one Cl(1) atom. In the second O site, O(2) is bonded in a 2-coordinate geometry to one Ba(1) and one Cl(1) atom. In the third O site, O(3) is bonded in a 4-coordinate geometry to two equivalent Ba(1) and two equivalent O(3) atoms. Cl(1) is bonded to one O(1) and three equivalent O(2) atoms to form ClO4 tetrahedra that share corners with three equivalent Ba(1)O12 cuboctahedra. is represented by the Crystallographic Information File (CIF) [CIF]
data_BaCl2O11
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   6.835
_cell_length_b   6.835
_cell_length_c   11.457
_cell_angle_alpha   90.000
_cell_angle_beta   90.000
_cell_angle_gamma   120.000
_symmetry_Int_Tables_number   1
_cell_volume   463.547
_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  0.000  0.000  0.500  1.0
  Ba  Ba1  1  0.000  0.000  0.000  1.0
  Cl  Cl2  1  0.667  0.333  0.539  1.0
  Cl  Cl3  1  0.333  0.667  0.039  1.0
  Cl  Cl4  1  0.333  0.667  0.461  1.0
  Cl  Cl5  1  0.667  0.333  0.961  1.0
  O  O6  1  0.667  0.333  0.413  1.0
  O  O7  1  0.333  0.667  0.913  1.0
  O  O8  1  0.333  0.667  0.587  1.0
  O  O9  1  0.667  0.333  0.087  1.0
  O  O10  1  0.738  0.561  0.583  1.0
  O  O11  1  0.439  0.177  0.583  1.0
  O  O12  1  0.823  0.262  0.583  1.0
  O  O13  1  0.262  0.439  0.083  1.0
  O  O14  1  0.561  0.823  0.083  1.0
  O  O15  1  0.177  0.738  0.083  1.0
  O  O16  1  0.262  0.439  0.417  1.0
  O  O17  1  0.561  0.823  0.417  1.0
  O  O18  1  0.177  0.738  0.417  1.0
  O  O19  1  0.738  0.561  0.917  1.0
  O  O20  1  0.439  0.177  0.917  1.0
  O  O21  1  0.823  0.262  0.917  1.0
  O  O22  1  0.049  0.908  0.750  1.0
  O  O23  1  0.092  0.141  0.750  1.0
  O  O24  1  0.859  0.951  0.750  1.0
  O  O25  1  0.951  0.092  0.250  1.0
  O  O26  1  0.908  0.859  0.250  1.0
  O  O27  1  0.141  0.049  0.250  1.0
[/CIF]
.