The compound described by KMnO4 crystallizes in the orthorhombic Pnma space group. K(1) is bonded in a 11-coordinate geometry to two equivalent O(1), three equivalent O(3), and six equivalent O(2) atoms. Mn(1) is bonded in a tetrahedral geometry to one O(1), one O(3), and two equivalent O(2) atoms. There are three inequivalent O sites. In the first O site, O(1) is bonded in a single-bond geometry to two equivalent K(1) and one Mn(1) atom. In the second O site, O(2) is bonded in a distorted single-bond geometry to three equivalent K(1) and one Mn(1) atom. In the third O site, O(3) is bonded in a single-bond geometry to three equivalent K(1) and one Mn(1) atom. is represented by the CIF card [CIF]
data_KMnO4
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   6.168
_cell_length_b   7.480
_cell_length_c   9.032
_cell_angle_alpha   90.000
_cell_angle_beta   90.000
_cell_angle_gamma   90.000
_symmetry_Int_Tables_number   1
_cell_volume   416.725
_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  0.750  0.833  0.684  1.0
  K  K1  1  0.250  0.167  0.316  1.0
  K  K2  1  0.250  0.333  0.816  1.0
  K  K3  1  0.750  0.667  0.184  1.0
  Mn  Mn4  1  0.250  0.821  0.914  1.0
  Mn  Mn5  1  0.250  0.679  0.414  1.0
  Mn  Mn6  1  0.750  0.321  0.586  1.0
  Mn  Mn7  1  0.750  0.179  0.086  1.0
  O  O8  1  0.750  0.013  0.971  1.0
  O  O9  1  0.464  0.802  0.437  1.0
  O  O10  1  0.536  0.302  0.063  1.0
  O  O11  1  0.964  0.302  0.063  1.0
  O  O12  1  0.464  0.698  0.937  1.0
  O  O13  1  0.250  0.513  0.529  1.0
  O  O14  1  0.536  0.198  0.563  1.0
  O  O15  1  0.250  0.987  0.029  1.0
  O  O16  1  0.964  0.198  0.563  1.0
  O  O17  1  0.750  0.487  0.471  1.0
  O  O18  1  0.036  0.698  0.937  1.0
  O  O19  1  0.250  0.601  0.248  1.0
  O  O20  1  0.036  0.802  0.437  1.0
  O  O21  1  0.750  0.101  0.252  1.0
  O  O22  1  0.750  0.399  0.752  1.0
  O  O23  1  0.250  0.899  0.748  1.0
[/CIF]
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The compound described by KMnO4 crystallizes in the orthorhombic Pnma space group. K(1) is bonded in a 11-coordinate geometry to two equivalent O(1), three equivalent O(3), and six equivalent O(2) atoms. Mn(1) is bonded in a tetrahedral geometry to one O(1), one O(3), and two equivalent O(2) atoms. There are three inequivalent O sites. In the first O site, O(1) is bonded in a single-bond geometry to two equivalent K(1) and one Mn(1) atom. In the second O site, O(2) is bonded in a distorted single-bond geometry to three equivalent K(1) and one Mn(1) atom. In the third O site, O(3) is bonded in a single-bond geometry to three equivalent K(1) and one Mn(1) atom. is represented by the CIF card [CIF]
data_KMnO4
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   6.168
_cell_length_b   7.480
_cell_length_c   9.032
_cell_angle_alpha   90.000
_cell_angle_beta   90.000
_cell_angle_gamma   90.000
_symmetry_Int_Tables_number   1
_cell_volume   416.725
_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  0.750  0.833  0.684  1.0
  K  K1  1  0.250  0.167  0.316  1.0
  K  K2  1  0.250  0.333  0.816  1.0
  K  K3  1  0.750  0.667  0.184  1.0
  Mn  Mn4  1  0.250  0.821  0.914  1.0
  Mn  Mn5  1  0.250  0.679  0.414  1.0
  Mn  Mn6  1  0.750  0.321  0.586  1.0
  Mn  Mn7  1  0.750  0.179  0.086  1.0
  O  O8  1  0.750  0.013  0.971  1.0
  O  O9  1  0.464  0.802  0.437  1.0
  O  O10  1  0.536  0.302  0.063  1.0
  O  O11  1  0.964  0.302  0.063  1.0
  O  O12  1  0.464  0.698  0.937  1.0
  O  O13  1  0.250  0.513  0.529  1.0
  O  O14  1  0.536  0.198  0.563  1.0
  O  O15  1  0.250  0.987  0.029  1.0
  O  O16  1  0.964  0.198  0.563  1.0
  O  O17  1  0.750  0.487  0.471  1.0
  O  O18  1  0.036  0.698  0.937  1.0
  O  O19  1  0.250  0.601  0.248  1.0
  O  O20  1  0.036  0.802  0.437  1.0
  O  O21  1  0.750  0.101  0.252  1.0
  O  O22  1  0.750  0.399  0.752  1.0
  O  O23  1  0.250  0.899  0.748  1.0
[/CIF]
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