The material described by KClO4 crystallizes in the orthorhombic Pnma space group. K(1) is bonded in a 10-coordinate geometry to one O(1), three equivalent O(3), and six equivalent O(2) atoms. There are three inequivalent O sites. In the first O site, O(1) is bonded in a distorted linear geometry to one K(1) and one Cl(1) atom. In the second O site, O(2) is bonded to three equivalent K(1) and one Cl(1) atom to form a mixture of distorted corner and edge-sharing OK3Cl tetrahedra. In the third O site, O(3) is bonded in a distorted single-bond geometry to three equivalent K(1) and one Cl(1) atom. Cl(1) is bonded in a tetrahedral geometry to one O(1), one O(3), and two equivalent O(2) atoms. is represented by the CIF card [CIF]
data_KClO4
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   5.613
_cell_length_b   7.198
_cell_length_c   8.751
_cell_angle_alpha   90.000
_cell_angle_beta   90.000
_cell_angle_gamma   90.000
_symmetry_Int_Tables_number   1
_cell_volume   353.529
_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  0.250  0.160  0.681  1.0
  K  K1  1  0.750  0.840  0.319  1.0
  K  K2  1  0.750  0.660  0.819  1.0
  K  K3  1  0.250  0.340  0.181  1.0
  Cl  Cl4  1  0.250  0.688  0.569  1.0
  Cl  Cl5  1  0.750  0.312  0.431  1.0
  Cl  Cl6  1  0.750  0.188  0.931  1.0
  Cl  Cl7  1  0.250  0.812  0.069  1.0
  O  O8  1  0.250  0.593  0.425  1.0
  O  O9  1  0.750  0.407  0.575  1.0
  O  O10  1  0.750  0.093  0.075  1.0
  O  O11  1  0.250  0.907  0.925  1.0
  O  O12  1  0.540  0.195  0.419  1.0
  O  O13  1  0.040  0.805  0.581  1.0
  O  O14  1  0.460  0.695  0.081  1.0
  O  O15  1  0.960  0.305  0.919  1.0
  O  O16  1  0.250  0.944  0.194  1.0
  O  O17  1  0.750  0.056  0.806  1.0
  O  O18  1  0.750  0.444  0.306  1.0
  O  O19  1  0.250  0.556  0.694  1.0
  O  O20  1  0.040  0.695  0.081  1.0
  O  O21  1  0.540  0.305  0.919  1.0
  O  O22  1  0.960  0.195  0.419  1.0
  O  O23  1  0.460  0.805  0.581  1.0
[/CIF]
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The material described by KClO4 crystallizes in the orthorhombic Pnma space group. K(1) is bonded in a 10-coordinate geometry to one O(1), three equivalent O(3), and six equivalent O(2) atoms. There are three inequivalent O sites. In the first O site, O(1) is bonded in a distorted linear geometry to one K(1) and one Cl(1) atom. In the second O site, O(2) is bonded to three equivalent K(1) and one Cl(1) atom to form a mixture of distorted corner and edge-sharing OK3Cl tetrahedra. In the third O site, O(3) is bonded in a distorted single-bond geometry to three equivalent K(1) and one Cl(1) atom. Cl(1) is bonded in a tetrahedral geometry to one O(1), one O(3), and two equivalent O(2) atoms. is represented by the CIF card [CIF]
data_KClO4
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   5.613
_cell_length_b   7.198
_cell_length_c   8.751
_cell_angle_alpha   90.000
_cell_angle_beta   90.000
_cell_angle_gamma   90.000
_symmetry_Int_Tables_number   1
_cell_volume   353.529
_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  0.250  0.160  0.681  1.0
  K  K1  1  0.750  0.840  0.319  1.0
  K  K2  1  0.750  0.660  0.819  1.0
  K  K3  1  0.250  0.340  0.181  1.0
  Cl  Cl4  1  0.250  0.688  0.569  1.0
  Cl  Cl5  1  0.750  0.312  0.431  1.0
  Cl  Cl6  1  0.750  0.188  0.931  1.0
  Cl  Cl7  1  0.250  0.812  0.069  1.0
  O  O8  1  0.250  0.593  0.425  1.0
  O  O9  1  0.750  0.407  0.575  1.0
  O  O10  1  0.750  0.093  0.075  1.0
  O  O11  1  0.250  0.907  0.925  1.0
  O  O12  1  0.540  0.195  0.419  1.0
  O  O13  1  0.040  0.805  0.581  1.0
  O  O14  1  0.460  0.695  0.081  1.0
  O  O15  1  0.960  0.305  0.919  1.0
  O  O16  1  0.250  0.944  0.194  1.0
  O  O17  1  0.750  0.056  0.806  1.0
  O  O18  1  0.750  0.444  0.306  1.0
  O  O19  1  0.250  0.556  0.694  1.0
  O  O20  1  0.040  0.695  0.081  1.0
  O  O21  1  0.540  0.305  0.919  1.0
  O  O22  1  0.960  0.195  0.419  1.0
  O  O23  1  0.460  0.805  0.581  1.0
[/CIF]
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