The material described by Zn2Cl5O2 crystallizes in the orthorhombic Fdd2 space group. The structure consists of eight 7782-44-7 molecules inside a Zn2Cl5 framework. In the Zn2Cl5 framework, Zn(1) is bonded to one Cl(2), one Cl(3), and two equivalent Cl(1) atoms to form corner-sharing ZnCl4 tetrahedra. There are three inequivalent Cl sites. In the first Cl site, Cl(1) is bonded in a water-like geometry to two equivalent Zn(1) atoms. In the second Cl site, Cl(2) is bonded in a single-bond geometry to one Zn(1) atom. In the third Cl site, Cl(3) is bonded in a water-like geometry to two equivalent Zn(1) atoms. is represented by the CIF card [CIF]
data_Zn2Cl5O2
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   12.085
_cell_length_b   11.976
_cell_length_c   6.608
_cell_angle_alpha   74.975
_cell_angle_beta   73.148
_cell_angle_gamma   31.876
_symmetry_Int_Tables_number   1
_cell_volume   483.181
_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
  Zn  Zn0  1  0.165  0.164  0.362  1.0
  Zn  Zn1  1  0.310  0.362  0.164  1.0
  Zn  Zn2  1  0.888  0.940  0.085  1.0
  Zn  Zn3  1  0.086  0.085  0.940  1.0
  Cl  Cl4  1  0.301  0.031  0.672  1.0
  Cl  Cl5  1  0.996  0.672  0.031  1.0
  Cl  Cl6  1  0.578  0.254  0.949  1.0
  Cl  Cl7  1  0.219  0.949  0.254  1.0
  Cl  Cl8  1  0.812  0.487  0.398  1.0
  Cl  Cl9  1  0.303  0.398  0.487  1.0
  Cl  Cl10  1  0.852  0.947  0.438  1.0
  Cl  Cl11  1  0.763  0.438  0.947  1.0
  Cl  Cl12  1  0.382  0.118  0.118  1.0
  Cl  Cl13  1  0.132  0.868  0.868  1.0
  O  O14  1  0.881  0.606  0.741  1.0
  O  O15  1  0.772  0.741  0.606  1.0
  O  O16  1  0.509  0.478  0.369  1.0
  O  O17  1  0.644  0.369  0.478  1.0
[/CIF]
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The material described by Zn2Cl5O2 crystallizes in the orthorhombic Fdd2 space group. The structure consists of eight 7782-44-7 molecules inside a Zn2Cl5 framework. In the Zn2Cl5 framework, Zn(1) is bonded to one Cl(2), one Cl(3), and two equivalent Cl(1) atoms to form corner-sharing ZnCl4 tetrahedra. There are three inequivalent Cl sites. In the first Cl site, Cl(1) is bonded in a water-like geometry to two equivalent Zn(1) atoms. In the second Cl site, Cl(2) is bonded in a single-bond geometry to one Zn(1) atom. In the third Cl site, Cl(3) is bonded in a water-like geometry to two equivalent Zn(1) atoms. is represented by the CIF card [CIF]
data_Zn2Cl5O2
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   12.085
_cell_length_b   11.976
_cell_length_c   6.608
_cell_angle_alpha   74.975
_cell_angle_beta   73.148
_cell_angle_gamma   31.876
_symmetry_Int_Tables_number   1
_cell_volume   483.181
_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
  Zn  Zn0  1  0.165  0.164  0.362  1.0
  Zn  Zn1  1  0.310  0.362  0.164  1.0
  Zn  Zn2  1  0.888  0.940  0.085  1.0
  Zn  Zn3  1  0.086  0.085  0.940  1.0
  Cl  Cl4  1  0.301  0.031  0.672  1.0
  Cl  Cl5  1  0.996  0.672  0.031  1.0
  Cl  Cl6  1  0.578  0.254  0.949  1.0
  Cl  Cl7  1  0.219  0.949  0.254  1.0
  Cl  Cl8  1  0.812  0.487  0.398  1.0
  Cl  Cl9  1  0.303  0.398  0.487  1.0
  Cl  Cl10  1  0.852  0.947  0.438  1.0
  Cl  Cl11  1  0.763  0.438  0.947  1.0
  Cl  Cl12  1  0.382  0.118  0.118  1.0
  Cl  Cl13  1  0.132  0.868  0.868  1.0
  O  O14  1  0.881  0.606  0.741  1.0
  O  O15  1  0.772  0.741  0.606  1.0
  O  O16  1  0.509  0.478  0.369  1.0
  O  O17  1  0.644  0.369  0.478  1.0
[/CIF]
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