The material structure described by KMn2O4 is Orthorhombic Perovskite-like structured and crystallizes in the triclinic P1 space group. There are two inequivalent K sites. In the first K site, K(1) is bonded in a 6-coordinate geometry to one O(7), one O(8), two equivalent O(3), and two equivalent O(4) atoms. In the second K site, K(2) is bonded in a 6-coordinate geometry to one O(1), one O(7), two equivalent O(5), and two equivalent O(6) atoms. There are four inequivalent Mn sites. In the first Mn site, Mn(1) is bonded to one O(1), one O(3), two equivalent O(4), and two equivalent O(7) atoms to form edge-sharing MnO6 octahedra. In the second Mn site, Mn(2) is bonded to one O(2), one O(4), two equivalent O(3), and two equivalent O(8) atoms to form edge-sharing MnO6 octahedra. In the third Mn site, Mn(3) is bonded to one O(6), one O(7), two equivalent O(1), and two equivalent O(5) atoms to form distorted edge-sharing MnO6 octahedra. In the fourth Mn site, Mn(4) is bonded to one O(5), one O(8), two equivalent O(2), and two equivalent O(6) atoms to form distorted edge-sharing MnO6 octahedra. There are eight inequivalent O sites. In the first O site, O(1) is bonded in a 4-coordinate geometry to one K(2), one Mn(1), and two equivalent Mn(3) atoms. In the second O site, O(2) is bonded in a trigonal non-coplanar geometry to one Mn(2) and two equivalent Mn(4) atoms. In the third O site, O(3) is bonded in a 5-coordinate geometry to two equivalent K(1), one Mn(1), and two equivalent Mn(2) atoms. In the fourth O site, O(4) is bonded to two equivalent K(1), one Mn(2), and two equivalent Mn(1) atoms to form distorted edge-sharing OK2Mn3 square pyramids. In the fifth O site, O(5) is bonded in a 5-coordinate geometry to two equivalent K(2), one Mn(4), and two equivalent Mn(3) atoms. In the sixth O site, O(6) is bonded to two equivalent K(2), one Mn(3), and two equivalent Mn(4) atoms to form distorted edge-sharing OK2Mn3 square pyramids. In the seventh O site, O(7) is bonded in a 5-coordinate geometry to one K(1), one K(2), one Mn(3), and two equivalent Mn(1) atoms. In the eighth O site, O(8) is bonded in a distorted rectangular see-saw-like geometry to one K(1), one Mn(4), and two equivalent Mn(2) atoms. is represented by the CIF file [CIF]
data_KMn2O4
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   2.952
_cell_length_b   6.588
_cell_length_c   10.642
_cell_angle_alpha   92.680
_cell_angle_beta   89.982
_cell_angle_gamma   76.738
_symmetry_Int_Tables_number   1
_cell_volume   201.204
_cell_formula_units_Z   2
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  0.993  0.993  0.477  1.0
  K  K1  1  0.981  0.031  0.920  1.0
  Mn  Mn2  1  0.725  0.526  0.620  1.0
  Mn  Mn3  1  0.255  0.469  0.376  1.0
  Mn  Mn4  1  0.223  0.535  0.872  1.0
  Mn  Mn5  1  0.754  0.473  0.123  1.0
  O  O6  1  0.797  0.390  0.776  1.0
  O  O7  1  0.185  0.607  0.222  1.0
  O  O8  1  0.665  0.643  0.452  1.0
  O  O9  1  0.315  0.351  0.546  1.0
  O  O10  1  0.647  0.686  0.955  1.0
  O  O11  1  0.328  0.330  0.033  1.0
  O  O12  1  0.136  0.699  0.678  1.0
  O  O13  1  0.841  0.301  0.317  1.0
[/CIF]
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The material structure described by KMn2O4 is Orthorhombic Perovskite-like structured and crystallizes in the triclinic P1 space group. There are two inequivalent K sites. In the first K site, K(1) is bonded in a 6-coordinate geometry to one O(7), one O(8), two equivalent O(3), and two equivalent O(4) atoms. In the second K site, K(2) is bonded in a 6-coordinate geometry to one O(1), one O(7), two equivalent O(5), and two equivalent O(6) atoms. There are four inequivalent Mn sites. In the first Mn site, Mn(1) is bonded to one O(1), one O(3), two equivalent O(4), and two equivalent O(7) atoms to form edge-sharing MnO6 octahedra. In the second Mn site, Mn(2) is bonded to one O(2), one O(4), two equivalent O(3), and two equivalent O(8) atoms to form edge-sharing MnO6 octahedra. In the third Mn site, Mn(3) is bonded to one O(6), one O(7), two equivalent O(1), and two equivalent O(5) atoms to form distorted edge-sharing MnO6 octahedra. In the fourth Mn site, Mn(4) is bonded to one O(5), one O(8), two equivalent O(2), and two equivalent O(6) atoms to form distorted edge-sharing MnO6 octahedra. There are eight inequivalent O sites. In the first O site, O(1) is bonded in a 4-coordinate geometry to one K(2), one Mn(1), and two equivalent Mn(3) atoms. In the second O site, O(2) is bonded in a trigonal non-coplanar geometry to one Mn(2) and two equivalent Mn(4) atoms. In the third O site, O(3) is bonded in a 5-coordinate geometry to two equivalent K(1), one Mn(1), and two equivalent Mn(2) atoms. In the fourth O site, O(4) is bonded to two equivalent K(1), one Mn(2), and two equivalent Mn(1) atoms to form distorted edge-sharing OK2Mn3 square pyramids. In the fifth O site, O(5) is bonded in a 5-coordinate geometry to two equivalent K(2), one Mn(4), and two equivalent Mn(3) atoms. In the sixth O site, O(6) is bonded to two equivalent K(2), one Mn(3), and two equivalent Mn(4) atoms to form distorted edge-sharing OK2Mn3 square pyramids. In the seventh O site, O(7) is bonded in a 5-coordinate geometry to one K(1), one K(2), one Mn(3), and two equivalent Mn(1) atoms. In the eighth O site, O(8) is bonded in a distorted rectangular see-saw-like geometry to one K(1), one Mn(4), and two equivalent Mn(2) atoms. is represented by the CIF file [CIF]
data_KMn2O4
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   2.952
_cell_length_b   6.588
_cell_length_c   10.642
_cell_angle_alpha   92.680
_cell_angle_beta   89.982
_cell_angle_gamma   76.738
_symmetry_Int_Tables_number   1
_cell_volume   201.204
_cell_formula_units_Z   2
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  0.993  0.993  0.477  1.0
  K  K1  1  0.981  0.031  0.920  1.0
  Mn  Mn2  1  0.725  0.526  0.620  1.0
  Mn  Mn3  1  0.255  0.469  0.376  1.0
  Mn  Mn4  1  0.223  0.535  0.872  1.0
  Mn  Mn5  1  0.754  0.473  0.123  1.0
  O  O6  1  0.797  0.390  0.776  1.0
  O  O7  1  0.185  0.607  0.222  1.0
  O  O8  1  0.665  0.643  0.452  1.0
  O  O9  1  0.315  0.351  0.546  1.0
  O  O10  1  0.647  0.686  0.955  1.0
  O  O11  1  0.328  0.330  0.033  1.0
  O  O12  1  0.136  0.699  0.678  1.0
  O  O13  1  0.841  0.301  0.317  1.0
[/CIF]
.