The material described by Ba(ClO4)2 crystallizes in the orthorhombic Fddd space group. Ba(1) is bonded to four equivalent O(2) and eight equivalent O(1) atoms to form distorted BaO12 cuboctahedra that share corners with eight equivalent Cl(1)O4 tetrahedra, edges with four equivalent Ba(1)O12 cuboctahedra, and edges with two equivalent Cl(1)O4 tetrahedra. There are two inequivalent O sites. In the first O site, O(2) is bonded in a distorted single-bond geometry to one Ba(1) and one Cl(1) atom. In the second O site, O(1) is bonded in a distorted single-bond geometry to two equivalent Ba(1) and one Cl(1) atom. Cl(1) is bonded to two equivalent O(1) and two equivalent O(2) atoms to form ClO4 tetrahedra that share corners with four equivalent Ba(1)O12 cuboctahedra and  an edgeedge with one Ba(1)O12 cuboctahedra. is represented by the CIF file [CIF]
data_Ba(ClO4)2
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   9.269
_cell_length_b   8.052
_cell_length_c   6.889
_cell_angle_alpha   76.240
_cell_angle_beta   57.546
_cell_angle_gamma   46.218
_symmetry_Int_Tables_number   1
_cell_volume   305.633
_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  0.250  0.250  0.250  1.0
  Ba  Ba1  1  1.000  1.000  0.000  1.0
  Cl  Cl2  1  0.946  0.554  0.946  1.0
  Cl  Cl3  1  0.554  0.946  0.554  1.0
  Cl  Cl4  1  0.304  0.696  0.304  1.0
  Cl  Cl5  1  0.696  0.304  0.696  1.0
  O  O6  1  0.977  0.364  0.065  1.0
  O  O7  1  0.364  0.977  0.594  1.0
  O  O8  1  0.065  0.594  0.977  1.0
  O  O9  1  0.594  0.065  0.364  1.0
  O  O10  1  0.273  0.886  0.185  1.0
  O  O11  1  0.886  0.273  0.656  1.0
  O  O12  1  0.185  0.656  0.273  1.0
  O  O13  1  0.656  0.185  0.886  1.0
  O  O14  1  0.052  0.484  0.702  1.0
  O  O15  1  0.484  0.052  0.762  1.0
  O  O16  1  0.702  0.762  0.052  1.0
  O  O17  1  0.762  0.702  0.484  1.0
  O  O18  1  0.198  0.766  0.548  1.0
  O  O19  1  0.766  0.198  0.488  1.0
  O  O20  1  0.548  0.488  0.198  1.0
  O  O21  1  0.488  0.548  0.766  1.0
[/CIF]
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The material described by Ba(ClO4)2 crystallizes in the orthorhombic Fddd space group. Ba(1) is bonded to four equivalent O(2) and eight equivalent O(1) atoms to form distorted BaO12 cuboctahedra that share corners with eight equivalent Cl(1)O4 tetrahedra, edges with four equivalent Ba(1)O12 cuboctahedra, and edges with two equivalent Cl(1)O4 tetrahedra. There are two inequivalent O sites. In the first O site, O(2) is bonded in a distorted single-bond geometry to one Ba(1) and one Cl(1) atom. In the second O site, O(1) is bonded in a distorted single-bond geometry to two equivalent Ba(1) and one Cl(1) atom. Cl(1) is bonded to two equivalent O(1) and two equivalent O(2) atoms to form ClO4 tetrahedra that share corners with four equivalent Ba(1)O12 cuboctahedra and  an edgeedge with one Ba(1)O12 cuboctahedra. is represented by the CIF file [CIF]
data_Ba(ClO4)2
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   9.269
_cell_length_b   8.052
_cell_length_c   6.889
_cell_angle_alpha   76.240
_cell_angle_beta   57.546
_cell_angle_gamma   46.218
_symmetry_Int_Tables_number   1
_cell_volume   305.633
_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  0.250  0.250  0.250  1.0
  Ba  Ba1  1  1.000  1.000  0.000  1.0
  Cl  Cl2  1  0.946  0.554  0.946  1.0
  Cl  Cl3  1  0.554  0.946  0.554  1.0
  Cl  Cl4  1  0.304  0.696  0.304  1.0
  Cl  Cl5  1  0.696  0.304  0.696  1.0
  O  O6  1  0.977  0.364  0.065  1.0
  O  O7  1  0.364  0.977  0.594  1.0
  O  O8  1  0.065  0.594  0.977  1.0
  O  O9  1  0.594  0.065  0.364  1.0
  O  O10  1  0.273  0.886  0.185  1.0
  O  O11  1  0.886  0.273  0.656  1.0
  O  O12  1  0.185  0.656  0.273  1.0
  O  O13  1  0.656  0.185  0.886  1.0
  O  O14  1  0.052  0.484  0.702  1.0
  O  O15  1  0.484  0.052  0.762  1.0
  O  O16  1  0.702  0.762  0.052  1.0
  O  O17  1  0.762  0.702  0.484  1.0
  O  O18  1  0.198  0.766  0.548  1.0
  O  O19  1  0.766  0.198  0.488  1.0
  O  O20  1  0.548  0.488  0.198  1.0
  O  O21  1  0.488  0.548  0.766  1.0
[/CIF]
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