The crystal structure described by KMn2O4 is Orthorhombic Perovskite-like structured and crystallizes in the triclinic P-1 space group. K(1) is bonded in a distorted hexagonal planar geometry to two equivalent O(1) and four equivalent O(2) atoms. There are two inequivalent Mn sites. In the first Mn site, Mn(1) is bonded to two equivalent O(2) and four equivalent O(1) 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(2) atoms to form edge-sharing MnO6 octahedra. There are two inequivalent O sites. In the first O site, O(1) is bonded in a 4-coordinate geometry to one K(1), one Mn(2), and two equivalent Mn(1) atoms. In the second O site, O(2) is bonded in a 5-coordinate geometry to two equivalent K(1), one Mn(1), and two equivalent Mn(2) atoms. is represented by the CIF card [CIF]
data_KMn2O4
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   2.984
_cell_length_b   5.058
_cell_length_c   6.500
_cell_angle_alpha   105.001
_cell_angle_beta   91.183
_cell_angle_gamma   93.574
_symmetry_Int_Tables_number   1
_cell_volume   94.533
_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  0.500  0.000  0.500  1.0
  Mn  Mn1  1  0.000  0.000  0.000  1.0
  Mn  Mn2  1  0.500  0.500  0.000  1.0
  O  O3  1  0.475  0.790  0.846  1.0
  O  O4  1  0.037  0.258  0.835  1.0
  O  O5  1  0.963  0.742  0.165  1.0
  O  O6  1  0.525  0.210  0.154  1.0
[/CIF]
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The crystal structure described by KMn2O4 is Orthorhombic Perovskite-like structured and crystallizes in the triclinic P-1 space group. K(1) is bonded in a distorted hexagonal planar geometry to two equivalent O(1) and four equivalent O(2) atoms. There are two inequivalent Mn sites. In the first Mn site, Mn(1) is bonded to two equivalent O(2) and four equivalent O(1) 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(2) atoms to form edge-sharing MnO6 octahedra. There are two inequivalent O sites. In the first O site, O(1) is bonded in a 4-coordinate geometry to one K(1), one Mn(2), and two equivalent Mn(1) atoms. In the second O site, O(2) is bonded in a 5-coordinate geometry to two equivalent K(1), one Mn(1), and two equivalent Mn(2) atoms. is represented by the CIF card [CIF]
data_KMn2O4
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   2.984
_cell_length_b   5.058
_cell_length_c   6.500
_cell_angle_alpha   105.001
_cell_angle_beta   91.183
_cell_angle_gamma   93.574
_symmetry_Int_Tables_number   1
_cell_volume   94.533
_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  0.500  0.000  0.500  1.0
  Mn  Mn1  1  0.000  0.000  0.000  1.0
  Mn  Mn2  1  0.500  0.500  0.000  1.0
  O  O3  1  0.475  0.790  0.846  1.0
  O  O4  1  0.037  0.258  0.835  1.0
  O  O5  1  0.963  0.742  0.165  1.0
  O  O6  1  0.525  0.210  0.154  1.0
[/CIF]
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