The material structure described by KLiMnO2 crystallizes in the monoclinic C2/m space group. K(1) is bonded in a 7-coordinate geometry to two equivalent O(2) and five equivalent O(1) atoms. Li(1) is bonded to one O(1) and three equivalent O(2) atoms to form distorted LiO4 tetrahedra that share corners with two equivalent Li(1)O4 tetrahedra, corners with four equivalent Mn(1)O4 trigonal pyramids, edges with two equivalent Li(1)O4 tetrahedra, and edges with two equivalent Mn(1)O4 trigonal pyramids. Mn(1) is bonded to two equivalent O(1) and two equivalent O(2) atoms to form distorted MnO4 trigonal pyramids that share corners with four equivalent Li(1)O4 tetrahedra, corners with two equivalent Mn(1)O4 trigonal pyramids, edges with two equivalent Li(1)O4 tetrahedra, and  an edgeedge with one Mn(1)O4 trigonal pyramid. There are two inequivalent O sites. In the first O site, O(1) is bonded in a 3-coordinate geometry to five equivalent K(1), one Li(1), 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), three equivalent Li(1), and two equivalent Mn(1) atoms. is represented by the CIF file [CIF]
data_KLiMnO2
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   3.454
_cell_length_b   5.885
_cell_length_c   7.614
_cell_angle_alpha   76.649
_cell_angle_beta   76.898
_cell_angle_gamma   72.952
_symmetry_Int_Tables_number   1
_cell_volume   141.871
_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  0.161  0.312  0.367  1.0
  K  K1  1  0.839  0.688  0.633  1.0
  Li  Li2  1  0.338  0.378  0.947  1.0
  Li  Li3  1  0.662  0.622  0.053  1.0
  Mn  Mn4  1  0.956  0.905  0.184  1.0
  Mn  Mn5  1  0.044  0.095  0.816  1.0
  O  O6  1  0.534  0.240  0.693  1.0
  O  O7  1  0.466  0.760  0.307  1.0
  O  O8  1  0.162  0.734  0.942  1.0
  O  O9  1  0.838  0.266  0.058  1.0
[/CIF]
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The material structure described by KLiMnO2 crystallizes in the monoclinic C2/m space group. K(1) is bonded in a 7-coordinate geometry to two equivalent O(2) and five equivalent O(1) atoms. Li(1) is bonded to one O(1) and three equivalent O(2) atoms to form distorted LiO4 tetrahedra that share corners with two equivalent Li(1)O4 tetrahedra, corners with four equivalent Mn(1)O4 trigonal pyramids, edges with two equivalent Li(1)O4 tetrahedra, and edges with two equivalent Mn(1)O4 trigonal pyramids. Mn(1) is bonded to two equivalent O(1) and two equivalent O(2) atoms to form distorted MnO4 trigonal pyramids that share corners with four equivalent Li(1)O4 tetrahedra, corners with two equivalent Mn(1)O4 trigonal pyramids, edges with two equivalent Li(1)O4 tetrahedra, and  an edgeedge with one Mn(1)O4 trigonal pyramid. There are two inequivalent O sites. In the first O site, O(1) is bonded in a 3-coordinate geometry to five equivalent K(1), one Li(1), 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), three equivalent Li(1), and two equivalent Mn(1) atoms. is represented by the CIF file [CIF]
data_KLiMnO2
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   3.454
_cell_length_b   5.885
_cell_length_c   7.614
_cell_angle_alpha   76.649
_cell_angle_beta   76.898
_cell_angle_gamma   72.952
_symmetry_Int_Tables_number   1
_cell_volume   141.871
_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  0.161  0.312  0.367  1.0
  K  K1  1  0.839  0.688  0.633  1.0
  Li  Li2  1  0.338  0.378  0.947  1.0
  Li  Li3  1  0.662  0.622  0.053  1.0
  Mn  Mn4  1  0.956  0.905  0.184  1.0
  Mn  Mn5  1  0.044  0.095  0.816  1.0
  O  O6  1  0.534  0.240  0.693  1.0
  O  O7  1  0.466  0.760  0.307  1.0
  O  O8  1  0.162  0.734  0.942  1.0
  O  O9  1  0.838  0.266  0.058  1.0
[/CIF]
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