The structure described by Cu2(OH)3Cl crystallizes in the orthorhombic Pnma space group. There are two inequivalent Cu sites. In the first Cu site, Cu(1) is bonded in a distorted square co-planar geometry to two equivalent O(1), two equivalent O(2), and two equivalent Cl(1) atoms. In the second Cu site, Cu(2) is bonded in a 6-coordinate geometry to one O(1), four equivalent O(2), and one Cl(1) atom. There are two inequivalent H sites. In the first H site, H(1) is bonded in a single-bond geometry to one O(1) 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. There are two inequivalent O sites. In the first O site, O(1) is bonded in a distorted single-bond geometry to one Cu(2), two equivalent Cu(1), and one H(1) atom. In the second O site, O(2) is bonded in a distorted single-bond geometry to one Cu(1), two equivalent Cu(2), 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), and two equivalent H(2) atoms. is represented by the Crystallographic Information File (CIF) [CIF]
data_Cu2H3ClO3
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   6.082
_cell_length_b   6.953
_cell_length_c   9.186
_cell_angle_alpha   90.000
_cell_angle_beta   90.000
_cell_angle_gamma   90.000
_symmetry_Int_Tables_number   1
_cell_volume   388.491
_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  0.000  0.000  0.000  1.0
  Cu  Cu1  1  0.500  0.500  0.500  1.0
  Cu  Cu2  1  0.000  0.500  0.000  1.0
  Cu  Cu3  1  0.500  0.000  0.500  1.0
  Cu  Cu4  1  0.185  0.250  0.257  1.0
  Cu  Cu5  1  0.685  0.250  0.243  1.0
  Cu  Cu6  1  0.815  0.750  0.743  1.0
  Cu  Cu7  1  0.315  0.750  0.757  1.0
  H  H8  1  0.707  0.750  0.046  1.0
  H  H9  1  0.207  0.750  0.454  1.0
  H  H10  1  0.293  0.250  0.954  1.0
  H  H11  1  0.793  0.250  0.546  1.0
  H  H12  1  0.420  0.548  0.228  1.0
  H  H13  1  0.920  0.952  0.272  1.0
  H  H14  1  0.580  0.048  0.772  1.0
  H  H15  1  0.080  0.452  0.728  1.0
  H  H16  1  0.580  0.452  0.772  1.0
  H  H17  1  0.080  0.048  0.728  1.0
  H  H18  1  0.420  0.952  0.228  1.0
  H  H19  1  0.920  0.548  0.272  1.0
  Cl  Cl20  1  0.370  0.750  0.068  1.0
  Cl  Cl21  1  0.870  0.750  0.432  1.0
  Cl  Cl22  1  0.630  0.250  0.932  1.0
  Cl  Cl23  1  0.130  0.250  0.568  1.0
  O  O24  1  0.145  0.250  0.999  1.0
  O  O25  1  0.645  0.250  0.501  1.0
  O  O26  1  0.855  0.750  0.001  1.0
  O  O27  1  0.355  0.750  0.499  1.0
  O  O28  1  0.433  0.066  0.294  1.0
  O  O29  1  0.933  0.434  0.206  1.0
  O  O30  1  0.567  0.566  0.706  1.0
  O  O31  1  0.067  0.934  0.794  1.0
  O  O32  1  0.567  0.934  0.706  1.0
  O  O33  1  0.067  0.566  0.794  1.0
  O  O34  1  0.433  0.434  0.294  1.0
  O  O35  1  0.933  0.066  0.206  1.0
[/CIF]
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The structure described by Cu2(OH)3Cl crystallizes in the orthorhombic Pnma space group. There are two inequivalent Cu sites. In the first Cu site, Cu(1) is bonded in a distorted square co-planar geometry to two equivalent O(1), two equivalent O(2), and two equivalent Cl(1) atoms. In the second Cu site, Cu(2) is bonded in a 6-coordinate geometry to one O(1), four equivalent O(2), and one Cl(1) atom. There are two inequivalent H sites. In the first H site, H(1) is bonded in a single-bond geometry to one O(1) 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. There are two inequivalent O sites. In the first O site, O(1) is bonded in a distorted single-bond geometry to one Cu(2), two equivalent Cu(1), and one H(1) atom. In the second O site, O(2) is bonded in a distorted single-bond geometry to one Cu(1), two equivalent Cu(2), 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), and two equivalent H(2) atoms. is represented by the Crystallographic Information File (CIF) [CIF]
data_Cu2H3ClO3
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   6.082
_cell_length_b   6.953
_cell_length_c   9.186
_cell_angle_alpha   90.000
_cell_angle_beta   90.000
_cell_angle_gamma   90.000
_symmetry_Int_Tables_number   1
_cell_volume   388.491
_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  0.000  0.000  0.000  1.0
  Cu  Cu1  1  0.500  0.500  0.500  1.0
  Cu  Cu2  1  0.000  0.500  0.000  1.0
  Cu  Cu3  1  0.500  0.000  0.500  1.0
  Cu  Cu4  1  0.185  0.250  0.257  1.0
  Cu  Cu5  1  0.685  0.250  0.243  1.0
  Cu  Cu6  1  0.815  0.750  0.743  1.0
  Cu  Cu7  1  0.315  0.750  0.757  1.0
  H  H8  1  0.707  0.750  0.046  1.0
  H  H9  1  0.207  0.750  0.454  1.0
  H  H10  1  0.293  0.250  0.954  1.0
  H  H11  1  0.793  0.250  0.546  1.0
  H  H12  1  0.420  0.548  0.228  1.0
  H  H13  1  0.920  0.952  0.272  1.0
  H  H14  1  0.580  0.048  0.772  1.0
  H  H15  1  0.080  0.452  0.728  1.0
  H  H16  1  0.580  0.452  0.772  1.0
  H  H17  1  0.080  0.048  0.728  1.0
  H  H18  1  0.420  0.952  0.228  1.0
  H  H19  1  0.920  0.548  0.272  1.0
  Cl  Cl20  1  0.370  0.750  0.068  1.0
  Cl  Cl21  1  0.870  0.750  0.432  1.0
  Cl  Cl22  1  0.630  0.250  0.932  1.0
  Cl  Cl23  1  0.130  0.250  0.568  1.0
  O  O24  1  0.145  0.250  0.999  1.0
  O  O25  1  0.645  0.250  0.501  1.0
  O  O26  1  0.855  0.750  0.001  1.0
  O  O27  1  0.355  0.750  0.499  1.0
  O  O28  1  0.433  0.066  0.294  1.0
  O  O29  1  0.933  0.434  0.206  1.0
  O  O30  1  0.567  0.566  0.706  1.0
  O  O31  1  0.067  0.934  0.794  1.0
  O  O32  1  0.567  0.934  0.706  1.0
  O  O33  1  0.067  0.566  0.794  1.0
  O  O34  1  0.433  0.434  0.294  1.0
  O  O35  1  0.933  0.066  0.206  1.0
[/CIF]
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