The crystal structure described by CuOCl2ClO is Indium-derived structured and crystallizes in the monoclinic P2_1/c space group. The structure is zero-dimensional and consists of four hypochlorous acid molecules and two CuOCl2 clusters. In each CuOCl2 cluster, Cu(1) is bonded to one O(2), one Cl(1), and two equivalent Cl(3) atoms to form distorted edge-sharing CuCl3O tetrahedra. O(2) is bonded in a single-bond geometry to one Cu(1) atom. There are two inequivalent Cl sites. In the first Cl site, Cl(1) is bonded in a single-bond geometry to one Cu(1) atom. In the second Cl site, Cl(3) is bonded in an L-shaped geometry to two equivalent Cu(1) atoms. is represented by the CIF file [CIF]
data_CuCl3O2
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   7.967
_cell_length_b   8.413
_cell_length_c   9.485
_cell_angle_alpha   90.000
_cell_angle_beta   90.000
_cell_angle_gamma   106.069
_symmetry_Int_Tables_number   1
_cell_volume   610.921
_cell_formula_units_Z   4
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
  Cu  Cu0  1  0.499  0.813  0.967  1.0
  Cu  Cu1  1  0.501  0.187  0.033  1.0
  Cu  Cu2  1  0.501  0.687  0.467  1.0
  Cu  Cu3  1  0.499  0.313  0.533  1.0
  Cl  Cl4  1  0.302  0.771  0.579  1.0
  Cl  Cl5  1  0.698  0.229  0.421  1.0
  Cl  Cl6  1  0.698  0.729  0.079  1.0
  Cl  Cl7  1  0.302  0.271  0.921  1.0
  Cl  Cl8  1  0.002  0.851  0.820  1.0
  Cl  Cl9  1  0.998  0.149  0.180  1.0
  Cl  Cl10  1  0.998  0.649  0.320  1.0
  Cl  Cl11  1  0.002  0.351  0.680  1.0
  Cl  Cl12  1  0.629  0.567  0.640  1.0
  Cl  Cl13  1  0.371  0.433  0.360  1.0
  Cl  Cl14  1  0.371  0.933  0.140  1.0
  Cl  Cl15  1  0.629  0.067  0.860  1.0
  O  O16  1  0.934  0.964  0.718  1.0
  O  O17  1  0.066  0.036  0.282  1.0
  O  O18  1  0.066  0.536  0.218  1.0
  O  O19  1  0.934  0.464  0.782  1.0
  O  O20  1  0.357  0.691  0.845  1.0
  O  O21  1  0.643  0.309  0.155  1.0
  O  O22  1  0.643  0.809  0.345  1.0
  O  O23  1  0.357  0.191  0.655  1.0
[/CIF]
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The crystal structure described by CuOCl2ClO is Indium-derived structured and crystallizes in the monoclinic P2_1/c space group. The structure is zero-dimensional and consists of four hypochlorous acid molecules and two CuOCl2 clusters. In each CuOCl2 cluster, Cu(1) is bonded to one O(2), one Cl(1), and two equivalent Cl(3) atoms to form distorted edge-sharing CuCl3O tetrahedra. O(2) is bonded in a single-bond geometry to one Cu(1) atom. There are two inequivalent Cl sites. In the first Cl site, Cl(1) is bonded in a single-bond geometry to one Cu(1) atom. In the second Cl site, Cl(3) is bonded in an L-shaped geometry to two equivalent Cu(1) atoms. is represented by the CIF file [CIF]
data_CuCl3O2
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   7.967
_cell_length_b   8.413
_cell_length_c   9.485
_cell_angle_alpha   90.000
_cell_angle_beta   90.000
_cell_angle_gamma   106.069
_symmetry_Int_Tables_number   1
_cell_volume   610.921
_cell_formula_units_Z   4
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
  Cu  Cu0  1  0.499  0.813  0.967  1.0
  Cu  Cu1  1  0.501  0.187  0.033  1.0
  Cu  Cu2  1  0.501  0.687  0.467  1.0
  Cu  Cu3  1  0.499  0.313  0.533  1.0
  Cl  Cl4  1  0.302  0.771  0.579  1.0
  Cl  Cl5  1  0.698  0.229  0.421  1.0
  Cl  Cl6  1  0.698  0.729  0.079  1.0
  Cl  Cl7  1  0.302  0.271  0.921  1.0
  Cl  Cl8  1  0.002  0.851  0.820  1.0
  Cl  Cl9  1  0.998  0.149  0.180  1.0
  Cl  Cl10  1  0.998  0.649  0.320  1.0
  Cl  Cl11  1  0.002  0.351  0.680  1.0
  Cl  Cl12  1  0.629  0.567  0.640  1.0
  Cl  Cl13  1  0.371  0.433  0.360  1.0
  Cl  Cl14  1  0.371  0.933  0.140  1.0
  Cl  Cl15  1  0.629  0.067  0.860  1.0
  O  O16  1  0.934  0.964  0.718  1.0
  O  O17  1  0.066  0.036  0.282  1.0
  O  O18  1  0.066  0.536  0.218  1.0
  O  O19  1  0.934  0.464  0.782  1.0
  O  O20  1  0.357  0.691  0.845  1.0
  O  O21  1  0.643  0.309  0.155  1.0
  O  O22  1  0.643  0.809  0.345  1.0
  O  O23  1  0.357  0.191  0.655  1.0
[/CIF]
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