The compound described by KMn4O8 crystallizes in the monoclinic C2/m space group. K(1) is bonded in a hexagonal planar geometry to two equivalent O(2) and four equivalent O(3) atoms. There are three inequivalent Mn sites. In the first Mn site, Mn(1) is bonded to two equivalent O(1), two equivalent O(2), and two equivalent O(3) atoms to form edge-sharing MnO6 octahedra. In the second Mn site, Mn(2) is bonded to two equivalent O(1) and four equivalent O(3) atoms to form edge-sharing MnO6 octahedra. In the third Mn site, Mn(3) is bonded to two equivalent O(2) and four equivalent O(3) atoms to form edge-sharing MnO6 octahedra. There are three inequivalent O sites. In the first O site, O(1) is bonded in a distorted T-shaped geometry to one Mn(2) and two equivalent Mn(1) atoms. In the second O site, O(2) is bonded in a 4-coordinate geometry to one K(1), one Mn(3), and two equivalent Mn(1) atoms. In the third O site, O(3) is bonded in a 4-coordinate geometry to one K(1), one Mn(1), one Mn(2), and one Mn(3) atom. is represented by the Crystallographic Information File (CIF) [CIF]
data_KMn4O8
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   5.946
_cell_length_b   5.946
_cell_length_c   7.390
_cell_angle_alpha   66.696
_cell_angle_beta   66.696
_cell_angle_gamma   58.742
_symmetry_Int_Tables_number   1
_cell_volume   198.988
_cell_formula_units_Z   1
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  0.000  0.000  0.000  1.0
  Mn  Mn1  1  0.000  0.500  0.500  1.0
  Mn  Mn2  1  0.500  0.000  0.500  1.0
  Mn  Mn3  1  0.000  0.000  0.500  1.0
  Mn  Mn4  1  0.500  0.500  0.500  1.0
  O  O5  1  0.214  0.214  0.350  1.0
  O  O6  1  0.735  0.735  0.342  1.0
  O  O7  1  0.715  0.209  0.354  1.0
  O  O8  1  0.209  0.715  0.354  1.0
  O  O9  1  0.285  0.791  0.646  1.0
  O  O10  1  0.791  0.285  0.646  1.0
  O  O11  1  0.786  0.786  0.650  1.0
  O  O12  1  0.265  0.265  0.658  1.0
[/CIF]
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The compound described by KMn4O8 crystallizes in the monoclinic C2/m space group. K(1) is bonded in a hexagonal planar geometry to two equivalent O(2) and four equivalent O(3) atoms. There are three inequivalent Mn sites. In the first Mn site, Mn(1) is bonded to two equivalent O(1), two equivalent O(2), and two equivalent O(3) atoms to form edge-sharing MnO6 octahedra. In the second Mn site, Mn(2) is bonded to two equivalent O(1) and four equivalent O(3) atoms to form edge-sharing MnO6 octahedra. In the third Mn site, Mn(3) is bonded to two equivalent O(2) and four equivalent O(3) atoms to form edge-sharing MnO6 octahedra. There are three inequivalent O sites. In the first O site, O(1) is bonded in a distorted T-shaped geometry to one Mn(2) and two equivalent Mn(1) atoms. In the second O site, O(2) is bonded in a 4-coordinate geometry to one K(1), one Mn(3), and two equivalent Mn(1) atoms. In the third O site, O(3) is bonded in a 4-coordinate geometry to one K(1), one Mn(1), one Mn(2), and one Mn(3) atom. is represented by the Crystallographic Information File (CIF) [CIF]
data_KMn4O8
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   5.946
_cell_length_b   5.946
_cell_length_c   7.390
_cell_angle_alpha   66.696
_cell_angle_beta   66.696
_cell_angle_gamma   58.742
_symmetry_Int_Tables_number   1
_cell_volume   198.988
_cell_formula_units_Z   1
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  0.000  0.000  0.000  1.0
  Mn  Mn1  1  0.000  0.500  0.500  1.0
  Mn  Mn2  1  0.500  0.000  0.500  1.0
  Mn  Mn3  1  0.000  0.000  0.500  1.0
  Mn  Mn4  1  0.500  0.500  0.500  1.0
  O  O5  1  0.214  0.214  0.350  1.0
  O  O6  1  0.735  0.735  0.342  1.0
  O  O7  1  0.715  0.209  0.354  1.0
  O  O8  1  0.209  0.715  0.354  1.0
  O  O9  1  0.285  0.791  0.646  1.0
  O  O10  1  0.791  0.285  0.646  1.0
  O  O11  1  0.786  0.786  0.650  1.0
  O  O12  1  0.265  0.265  0.658  1.0
[/CIF]
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