The material structure described by Cu2(OH)3Cl crystallizes in the monoclinic P2_1/c space group. There are three inequivalent Cu sites. In the first Cu site, Cu(1) is bonded in a distorted square co-planar geometry to one O(2), one O(3), two equivalent O(1), and two equivalent Cl(1) atoms. In the second Cu site, Cu(2) is bonded in a distorted square co-planar geometry to two equivalent O(2), two equivalent O(3), and two equivalent Cl(1) atoms. In the third Cu site, Cu(3) is bonded in a 6-coordinate geometry to two equivalent O(1), two equivalent O(2), and two equivalent O(3) atoms. There are three inequivalent H sites. In the first H site, H(1) is bonded in a single-bond geometry to one O(3) and one Cl(1) atom. In the second H site, H(2) is bonded in a single-bond geometry to one O(2) and one Cl(1) atom. In the third H site, H(3) is bonded in a single-bond geometry to one O(1) and one Cl(1) atom. There are three inequivalent O sites. In the first O site, O(3) is bonded in a distorted single-bond geometry to one Cu(1), one Cu(2), one Cu(3), and one H(1) atom. In the second O site, O(1) is bonded in a distorted single-bond geometry to one Cu(3), two equivalent Cu(1), and one H(3) atom. In the third O site, O(2) is bonded in a distorted single-bond geometry to one Cu(1), one Cu(2), one Cu(3), and one H(2) atom. Cl(1) is bonded in a 6-coordinate geometry to one Cu(2), two equivalent Cu(1), one H(1), one H(2), and one H(3) atom. is represented by the CIF file [CIF]
data_Cu2H3ClO3
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   6.180
_cell_length_b   6.844
_cell_length_c   9.191
_cell_angle_alpha   90.000
_cell_angle_beta   99.972
_cell_angle_gamma   90.000
_symmetry_Int_Tables_number   1
_cell_volume   382.854
_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  0.260  0.265  0.249  1.0
  Cu  Cu1  1  0.760  0.235  0.749  1.0
  Cu  Cu2  1  0.740  0.735  0.751  1.0
  Cu  Cu3  1  0.240  0.765  0.251  1.0
  Cu  Cu4  1  0.000  0.500  0.500  1.0
  Cu  Cu5  1  0.500  0.000  0.000  1.0
  Cu  Cu6  1  0.500  0.500  0.500  1.0
  Cu  Cu7  1  0.000  0.000  0.000  1.0
  H  H8  1  0.778  0.184  0.477  1.0
  H  H9  1  0.278  0.316  0.977  1.0
  H  H10  1  0.222  0.816  0.523  1.0
  H  H11  1  0.722  0.684  0.023  1.0
  H  H12  1  0.737  0.792  0.471  1.0
  H  H13  1  0.237  0.708  0.971  1.0
  H  H14  1  0.263  0.208  0.529  1.0
  H  H15  1  0.763  0.292  0.029  1.0
  H  H16  1  0.944  0.021  0.269  1.0
  H  H17  1  0.444  0.479  0.769  1.0
  H  H18  1  0.056  0.979  0.731  1.0
  H  H19  1  0.556  0.521  0.231  1.0
  Cl  Cl20  1  0.876  0.495  0.187  1.0
  Cl  Cl21  1  0.376  0.005  0.687  1.0
  Cl  Cl22  1  0.124  0.505  0.813  1.0
  Cl  Cl23  1  0.624  0.995  0.313  1.0
  O  O24  1  0.421  0.519  0.277  1.0
  O  O25  1  0.921  0.981  0.777  1.0
  O  O26  1  0.579  0.481  0.723  1.0
  O  O27  1  0.079  0.019  0.223  1.0
  O  O28  1  0.239  0.322  0.460  1.0
  O  O29  1  0.739  0.178  0.960  1.0
  O  O30  1  0.761  0.678  0.540  1.0
  O  O31  1  0.261  0.822  0.040  1.0
  O  O32  1  0.189  0.709  0.450  1.0
  O  O33  1  0.689  0.791  0.950  1.0
  O  O34  1  0.811  0.291  0.550  1.0
  O  O35  1  0.311  0.209  0.050  1.0
[/CIF]
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The material structure described by Cu2(OH)3Cl crystallizes in the monoclinic P2_1/c space group. There are three inequivalent Cu sites. In the first Cu site, Cu(1) is bonded in a distorted square co-planar geometry to one O(2), one O(3), two equivalent O(1), and two equivalent Cl(1) atoms. In the second Cu site, Cu(2) is bonded in a distorted square co-planar geometry to two equivalent O(2), two equivalent O(3), and two equivalent Cl(1) atoms. In the third Cu site, Cu(3) is bonded in a 6-coordinate geometry to two equivalent O(1), two equivalent O(2), and two equivalent O(3) atoms. There are three inequivalent H sites. In the first H site, H(1) is bonded in a single-bond geometry to one O(3) and one Cl(1) atom. In the second H site, H(2) is bonded in a single-bond geometry to one O(2) and one Cl(1) atom. In the third H site, H(3) is bonded in a single-bond geometry to one O(1) and one Cl(1) atom. There are three inequivalent O sites. In the first O site, O(3) is bonded in a distorted single-bond geometry to one Cu(1), one Cu(2), one Cu(3), and one H(1) atom. In the second O site, O(1) is bonded in a distorted single-bond geometry to one Cu(3), two equivalent Cu(1), and one H(3) atom. In the third O site, O(2) is bonded in a distorted single-bond geometry to one Cu(1), one Cu(2), one Cu(3), and one H(2) atom. Cl(1) is bonded in a 6-coordinate geometry to one Cu(2), two equivalent Cu(1), one H(1), one H(2), and one H(3) atom. is represented by the CIF file [CIF]
data_Cu2H3ClO3
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   6.180
_cell_length_b   6.844
_cell_length_c   9.191
_cell_angle_alpha   90.000
_cell_angle_beta   99.972
_cell_angle_gamma   90.000
_symmetry_Int_Tables_number   1
_cell_volume   382.854
_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  0.260  0.265  0.249  1.0
  Cu  Cu1  1  0.760  0.235  0.749  1.0
  Cu  Cu2  1  0.740  0.735  0.751  1.0
  Cu  Cu3  1  0.240  0.765  0.251  1.0
  Cu  Cu4  1  0.000  0.500  0.500  1.0
  Cu  Cu5  1  0.500  0.000  0.000  1.0
  Cu  Cu6  1  0.500  0.500  0.500  1.0
  Cu  Cu7  1  0.000  0.000  0.000  1.0
  H  H8  1  0.778  0.184  0.477  1.0
  H  H9  1  0.278  0.316  0.977  1.0
  H  H10  1  0.222  0.816  0.523  1.0
  H  H11  1  0.722  0.684  0.023  1.0
  H  H12  1  0.737  0.792  0.471  1.0
  H  H13  1  0.237  0.708  0.971  1.0
  H  H14  1  0.263  0.208  0.529  1.0
  H  H15  1  0.763  0.292  0.029  1.0
  H  H16  1  0.944  0.021  0.269  1.0
  H  H17  1  0.444  0.479  0.769  1.0
  H  H18  1  0.056  0.979  0.731  1.0
  H  H19  1  0.556  0.521  0.231  1.0
  Cl  Cl20  1  0.876  0.495  0.187  1.0
  Cl  Cl21  1  0.376  0.005  0.687  1.0
  Cl  Cl22  1  0.124  0.505  0.813  1.0
  Cl  Cl23  1  0.624  0.995  0.313  1.0
  O  O24  1  0.421  0.519  0.277  1.0
  O  O25  1  0.921  0.981  0.777  1.0
  O  O26  1  0.579  0.481  0.723  1.0
  O  O27  1  0.079  0.019  0.223  1.0
  O  O28  1  0.239  0.322  0.460  1.0
  O  O29  1  0.739  0.178  0.960  1.0
  O  O30  1  0.761  0.678  0.540  1.0
  O  O31  1  0.261  0.822  0.040  1.0
  O  O32  1  0.189  0.709  0.450  1.0
  O  O33  1  0.689  0.791  0.950  1.0
  O  O34  1  0.811  0.291  0.550  1.0
  O  O35  1  0.311  0.209  0.050  1.0
[/CIF]
.