The crystal structure described by KZnOCl3 crystallizes in the orthorhombic P2_12_12_1 space group. K(1) is bonded in a 8-coordinate geometry to one O(1), two equivalent Cl(2), two equivalent Cl(3), and three equivalent Cl(1) atoms. Zn(1) is bonded in a tetrahedral geometry to one O(1), one Cl(1), one Cl(2), and one Cl(3) atom. O(1) is bonded in a single-bond geometry to one K(1) and one Zn(1) atom. There are three inequivalent Cl sites. In the first Cl site, Cl(1) is bonded in a 4-coordinate geometry to three equivalent K(1) and one Zn(1) atom. In the second Cl site, Cl(2) is bonded in a 1-coordinate geometry to two equivalent K(1) and one Zn(1) atom. In the third Cl site, Cl(3) is bonded in a 3-coordinate geometry to two equivalent K(1) and one Zn(1) atom. is represented by the Crystallographic Information File (CIF) [CIF]
data_KZnCl3O
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   6.544
_cell_length_b   8.103
_cell_length_c   11.822
_cell_angle_alpha   90.000
_cell_angle_beta   90.000
_cell_angle_gamma   90.000
_symmetry_Int_Tables_number   1
_cell_volume   626.796
_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
  K  K0  1  0.190  0.979  0.514  1.0
  K  K1  1  0.690  0.521  0.486  1.0
  K  K2  1  0.810  0.479  0.986  1.0
  K  K3  1  0.310  0.021  0.014  1.0
  Zn  Zn4  1  0.756  0.928  0.273  1.0
  Zn  Zn5  1  0.256  0.572  0.727  1.0
  Zn  Zn6  1  0.244  0.428  0.227  1.0
  Zn  Zn7  1  0.744  0.072  0.773  1.0
  Cl  Cl8  1  0.693  0.905  0.459  1.0
  Cl  Cl9  1  0.193  0.595  0.541  1.0
  Cl  Cl10  1  0.307  0.405  0.041  1.0
  Cl  Cl11  1  0.807  0.095  0.959  1.0
  Cl  Cl12  1  0.584  0.744  0.157  1.0
  Cl  Cl13  1  0.084  0.756  0.843  1.0
  Cl  Cl14  1  0.416  0.244  0.343  1.0
  Cl  Cl15  1  0.916  0.256  0.657  1.0
  Cl  Cl16  1  0.101  0.873  0.246  1.0
  Cl  Cl17  1  0.601  0.627  0.754  1.0
  Cl  Cl18  1  0.899  0.373  0.254  1.0
  Cl  Cl19  1  0.399  0.127  0.746  1.0
  O  O20  1  0.665  0.139  0.207  1.0
  O  O21  1  0.165  0.361  0.793  1.0
  O  O22  1  0.335  0.639  0.293  1.0
  O  O23  1  0.835  0.861  0.707  1.0
[/CIF]
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The crystal structure described by KZnOCl3 crystallizes in the orthorhombic P2_12_12_1 space group. K(1) is bonded in a 8-coordinate geometry to one O(1), two equivalent Cl(2), two equivalent Cl(3), and three equivalent Cl(1) atoms. Zn(1) is bonded in a tetrahedral geometry to one O(1), one Cl(1), one Cl(2), and one Cl(3) atom. O(1) is bonded in a single-bond geometry to one K(1) and one Zn(1) atom. There are three inequivalent Cl sites. In the first Cl site, Cl(1) is bonded in a 4-coordinate geometry to three equivalent K(1) and one Zn(1) atom. In the second Cl site, Cl(2) is bonded in a 1-coordinate geometry to two equivalent K(1) and one Zn(1) atom. In the third Cl site, Cl(3) is bonded in a 3-coordinate geometry to two equivalent K(1) and one Zn(1) atom. is represented by the Crystallographic Information File (CIF) [CIF]
data_KZnCl3O
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   6.544
_cell_length_b   8.103
_cell_length_c   11.822
_cell_angle_alpha   90.000
_cell_angle_beta   90.000
_cell_angle_gamma   90.000
_symmetry_Int_Tables_number   1
_cell_volume   626.796
_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
  K  K0  1  0.190  0.979  0.514  1.0
  K  K1  1  0.690  0.521  0.486  1.0
  K  K2  1  0.810  0.479  0.986  1.0
  K  K3  1  0.310  0.021  0.014  1.0
  Zn  Zn4  1  0.756  0.928  0.273  1.0
  Zn  Zn5  1  0.256  0.572  0.727  1.0
  Zn  Zn6  1  0.244  0.428  0.227  1.0
  Zn  Zn7  1  0.744  0.072  0.773  1.0
  Cl  Cl8  1  0.693  0.905  0.459  1.0
  Cl  Cl9  1  0.193  0.595  0.541  1.0
  Cl  Cl10  1  0.307  0.405  0.041  1.0
  Cl  Cl11  1  0.807  0.095  0.959  1.0
  Cl  Cl12  1  0.584  0.744  0.157  1.0
  Cl  Cl13  1  0.084  0.756  0.843  1.0
  Cl  Cl14  1  0.416  0.244  0.343  1.0
  Cl  Cl15  1  0.916  0.256  0.657  1.0
  Cl  Cl16  1  0.101  0.873  0.246  1.0
  Cl  Cl17  1  0.601  0.627  0.754  1.0
  Cl  Cl18  1  0.899  0.373  0.254  1.0
  Cl  Cl19  1  0.399  0.127  0.746  1.0
  O  O20  1  0.665  0.139  0.207  1.0
  O  O21  1  0.165  0.361  0.793  1.0
  O  O22  1  0.335  0.639  0.293  1.0
  O  O23  1  0.835  0.861  0.707  1.0
[/CIF]
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