The material structure described by Zr6BCl18(O2)12 is Indium-derived structured and crystallizes in the cubic Im-3m space group. The structure is zero-dimensional and consists of twenty-four hydrogen peroxide molecules and two Zr6BCl18 clusters. In each Zr6BCl18 cluster, Zr(1) is bonded to one B(1), one Cl(2), and four equivalent Cl(1) atoms to form a mixture of corner and edge-sharing ZrBCl5 octahedra. The corner-sharing octahedra are not tilted. B(1) is bonded in an octahedral geometry to six equivalent Zr(1) atoms. There are two inequivalent Cl sites. In the first Cl site, Cl(2) is bonded in a single-bond geometry to one Zr(1) atom. In the second Cl site, Cl(1) is bonded in an L-shaped geometry to two equivalent Zr(1) atoms. is represented by the Crystallographic Information File (CIF) [CIF]
data_Zr6B(Cl3O4)6
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   12.111
_cell_length_b   12.111
_cell_length_c   12.111
_cell_angle_alpha   109.471
_cell_angle_beta   109.471
_cell_angle_gamma   109.471
_symmetry_Int_Tables_number   1
_cell_volume   1367.623
_cell_formula_units_Z   1
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
  Zr  Zr0  1  0.180  0.000  0.180  1.0
  Zr  Zr1  1  0.000  0.180  0.180  1.0
  Zr  Zr2  1  0.820  0.820  0.000  1.0
  Zr  Zr3  1  0.820  0.000  0.820  1.0
  Zr  Zr4  1  0.180  0.180  0.000  1.0
  Zr  Zr5  1  0.000  0.820  0.820  1.0
  B  B6  1  0.000  0.000  0.000  1.0
  Cl  Cl7  1  0.000  0.818  0.182  1.0
  Cl  Cl8  1  0.182  0.182  0.364  1.0
  Cl  Cl9  1  0.818  0.000  0.182  1.0
  Cl  Cl10  1  0.000  0.182  0.818  1.0
  Cl  Cl11  1  0.818  0.182  0.000  1.0
  Cl  Cl12  1  0.182  0.364  0.182  1.0
  Cl  Cl13  1  0.364  0.182  0.182  1.0
  Cl  Cl14  1  0.182  0.818  0.000  1.0
  Cl  Cl15  1  0.182  0.000  0.818  1.0
  Cl  Cl16  1  0.636  0.818  0.818  1.0
  Cl  Cl17  1  0.818  0.818  0.636  1.0
  Cl  Cl18  1  0.818  0.636  0.818  1.0
  Cl  Cl19  1  0.351  0.000  0.351  1.0
  Cl  Cl20  1  0.000  0.351  0.351  1.0
  Cl  Cl21  1  0.649  0.649  0.000  1.0
  Cl  Cl22  1  0.649  0.000  0.649  1.0
  Cl  Cl23  1  0.351  0.351  0.000  1.0
  Cl  Cl24  1  0.000  0.649  0.649  1.0
  O  O25  1  0.303  0.000  0.608  1.0
  O  O26  1  0.000  0.303  0.608  1.0
  O  O27  1  0.697  0.697  0.305  1.0
  O  O28  1  0.697  0.305  0.697  1.0
  O  O29  1  0.000  0.608  0.303  1.0
  O  O30  1  0.303  0.608  0.000  1.0
  O  O31  1  0.608  0.000  0.303  1.0
  O  O32  1  0.305  0.697  0.697  1.0
  O  O33  1  0.608  0.303  0.000  1.0
  O  O34  1  0.392  0.695  0.392  1.0
  O  O35  1  0.695  0.392  0.392  1.0
  O  O36  1  0.392  0.392  0.695  1.0
  O  O37  1  0.697  0.000  0.392  1.0
  O  O38  1  0.000  0.697  0.392  1.0
  O  O39  1  0.303  0.303  0.695  1.0
  O  O40  1  0.303  0.695  0.303  1.0
  O  O41  1  0.000  0.392  0.697  1.0
  O  O42  1  0.697  0.392  0.000  1.0
  O  O43  1  0.392  0.000  0.697  1.0
  O  O44  1  0.695  0.303  0.303  1.0
  O  O45  1  0.392  0.697  0.000  1.0
  O  O46  1  0.608  0.305  0.608  1.0
  O  O47  1  0.305  0.608  0.608  1.0
  O  O48  1  0.608  0.608  0.305  1.0
[/CIF]
.
The material structure described by Zr6BCl18(O2)12 is Indium-derived structured and crystallizes in the cubic Im-3m space group. The structure is zero-dimensional and consists of twenty-four hydrogen peroxide molecules and two Zr6BCl18 clusters. In each Zr6BCl18 cluster, Zr(1) is bonded to one B(1), one Cl(2), and four equivalent Cl(1) atoms to form a mixture of corner and edge-sharing ZrBCl5 octahedra. The corner-sharing octahedra are not tilted. B(1) is bonded in an octahedral geometry to six equivalent Zr(1) atoms. There are two inequivalent Cl sites. In the first Cl site, Cl(2) is bonded in a single-bond geometry to one Zr(1) atom. In the second Cl site, Cl(1) is bonded in an L-shaped geometry to two equivalent Zr(1) atoms. is represented by the Crystallographic Information File (CIF) [CIF]
data_Zr6B(Cl3O4)6
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   12.111
_cell_length_b   12.111
_cell_length_c   12.111
_cell_angle_alpha   109.471
_cell_angle_beta   109.471
_cell_angle_gamma   109.471
_symmetry_Int_Tables_number   1
_cell_volume   1367.623
_cell_formula_units_Z   1
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
  Zr  Zr0  1  0.180  0.000  0.180  1.0
  Zr  Zr1  1  0.000  0.180  0.180  1.0
  Zr  Zr2  1  0.820  0.820  0.000  1.0
  Zr  Zr3  1  0.820  0.000  0.820  1.0
  Zr  Zr4  1  0.180  0.180  0.000  1.0
  Zr  Zr5  1  0.000  0.820  0.820  1.0
  B  B6  1  0.000  0.000  0.000  1.0
  Cl  Cl7  1  0.000  0.818  0.182  1.0
  Cl  Cl8  1  0.182  0.182  0.364  1.0
  Cl  Cl9  1  0.818  0.000  0.182  1.0
  Cl  Cl10  1  0.000  0.182  0.818  1.0
  Cl  Cl11  1  0.818  0.182  0.000  1.0
  Cl  Cl12  1  0.182  0.364  0.182  1.0
  Cl  Cl13  1  0.364  0.182  0.182  1.0
  Cl  Cl14  1  0.182  0.818  0.000  1.0
  Cl  Cl15  1  0.182  0.000  0.818  1.0
  Cl  Cl16  1  0.636  0.818  0.818  1.0
  Cl  Cl17  1  0.818  0.818  0.636  1.0
  Cl  Cl18  1  0.818  0.636  0.818  1.0
  Cl  Cl19  1  0.351  0.000  0.351  1.0
  Cl  Cl20  1  0.000  0.351  0.351  1.0
  Cl  Cl21  1  0.649  0.649  0.000  1.0
  Cl  Cl22  1  0.649  0.000  0.649  1.0
  Cl  Cl23  1  0.351  0.351  0.000  1.0
  Cl  Cl24  1  0.000  0.649  0.649  1.0
  O  O25  1  0.303  0.000  0.608  1.0
  O  O26  1  0.000  0.303  0.608  1.0
  O  O27  1  0.697  0.697  0.305  1.0
  O  O28  1  0.697  0.305  0.697  1.0
  O  O29  1  0.000  0.608  0.303  1.0
  O  O30  1  0.303  0.608  0.000  1.0
  O  O31  1  0.608  0.000  0.303  1.0
  O  O32  1  0.305  0.697  0.697  1.0
  O  O33  1  0.608  0.303  0.000  1.0
  O  O34  1  0.392  0.695  0.392  1.0
  O  O35  1  0.695  0.392  0.392  1.0
  O  O36  1  0.392  0.392  0.695  1.0
  O  O37  1  0.697  0.000  0.392  1.0
  O  O38  1  0.000  0.697  0.392  1.0
  O  O39  1  0.303  0.303  0.695  1.0
  O  O40  1  0.303  0.695  0.303  1.0
  O  O41  1  0.000  0.392  0.697  1.0
  O  O42  1  0.697  0.392  0.000  1.0
  O  O43  1  0.392  0.000  0.697  1.0
  O  O44  1  0.695  0.303  0.303  1.0
  O  O45  1  0.392  0.697  0.000  1.0
  O  O46  1  0.608  0.305  0.608  1.0
  O  O47  1  0.305  0.608  0.608  1.0
  O  O48  1  0.608  0.608  0.305  1.0
[/CIF]
.