The structure described by K2LiMn2O4 crystallizes in the triclinic P-1 space group. There are three inequivalent K sites. In the first K site, K(1) is bonded in a 6-coordinate geometry to one O(3), one O(4), two equivalent O(1), and two equivalent O(2) atoms. In the second K site, K(2) is bonded in a 8-coordinate geometry to two equivalent O(1), two equivalent O(2), two equivalent O(3), and two equivalent O(4) atoms. In the third K site, K(3) is bonded in a 4-coordinate geometry to two equivalent O(3) and two equivalent O(4) atoms. Li(1) is bonded in a 4-coordinate geometry to one O(1), one O(2), one O(3), and one O(4) atom. There are two inequivalent Mn sites. In the first Mn site, Mn(1) is bonded to one O(3), one O(4), and two equivalent O(2) atoms to form edge-sharing MnO4 tetrahedra. In the second Mn site, Mn(2) is bonded in a distorted see-saw-like geometry to one O(3), one O(4), and two equivalent O(1) atoms. There are four inequivalent O sites. In the first O site, O(1) is bonded in a 3-coordinate geometry to one K(2), two equivalent K(1), one Li(1), and two equivalent Mn(2) atoms. In the second O site, O(2) is bonded in a 6-coordinate geometry to one K(2), two equivalent K(1), one Li(1), and two equivalent Mn(1) atoms. In the third O site, O(3) is bonded in a 3-coordinate geometry to one K(1), one K(2), one K(3), one Li(1), one Mn(1), and one Mn(2) atom. In the fourth O site, O(4) is bonded in a 6-coordinate geometry to one K(1), one K(2), one K(3), one Li(1), one Mn(1), and one Mn(2) atom. is represented by the CIF file [CIF]
data_K2LiMn2O4
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   6.457
_cell_length_b   6.593
_cell_length_c   6.507
_cell_angle_alpha   94.272
_cell_angle_beta   86.829
_cell_angle_gamma   87.693
_symmetry_Int_Tables_number   1
_cell_volume   275.557
_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  0.979  0.249  0.983  1.0
  K  K1  1  0.021  0.751  0.017  1.0
  K  K2  1  0.500  1.000  1.000  1.0
  K  K3  1  1.000  0.500  0.500  1.0
  Li  Li4  1  0.354  0.241  0.364  1.0
  Li  Li5  1  0.646  0.759  0.636  1.0
  Mn  Mn6  1  0.817  0.037  0.414  1.0
  Mn  Mn7  1  0.415  0.471  0.808  1.0
  Mn  Mn8  1  0.585  0.529  0.192  1.0
  Mn  Mn9  1  0.183  0.963  0.586  1.0
  O  O10  1  0.331  0.427  0.099  1.0
  O  O11  1  0.129  0.043  0.295  1.0
  O  O12  1  0.870  0.957  0.705  1.0
  O  O13  1  0.669  0.573  0.901  1.0
  O  O14  1  0.660  0.284  0.318  1.0
  O  O15  1  0.720  0.741  0.327  1.0
  O  O16  1  0.280  0.259  0.673  1.0
  O  O17  1  0.340  0.716  0.682  1.0
[/CIF]
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The structure described by K2LiMn2O4 crystallizes in the triclinic P-1 space group. There are three inequivalent K sites. In the first K site, K(1) is bonded in a 6-coordinate geometry to one O(3), one O(4), two equivalent O(1), and two equivalent O(2) atoms. In the second K site, K(2) is bonded in a 8-coordinate geometry to two equivalent O(1), two equivalent O(2), two equivalent O(3), and two equivalent O(4) atoms. In the third K site, K(3) is bonded in a 4-coordinate geometry to two equivalent O(3) and two equivalent O(4) atoms. Li(1) is bonded in a 4-coordinate geometry to one O(1), one O(2), one O(3), and one O(4) atom. There are two inequivalent Mn sites. In the first Mn site, Mn(1) is bonded to one O(3), one O(4), and two equivalent O(2) atoms to form edge-sharing MnO4 tetrahedra. In the second Mn site, Mn(2) is bonded in a distorted see-saw-like geometry to one O(3), one O(4), and two equivalent O(1) atoms. There are four inequivalent O sites. In the first O site, O(1) is bonded in a 3-coordinate geometry to one K(2), two equivalent K(1), one Li(1), and two equivalent Mn(2) atoms. In the second O site, O(2) is bonded in a 6-coordinate geometry to one K(2), two equivalent K(1), one Li(1), and two equivalent Mn(1) atoms. In the third O site, O(3) is bonded in a 3-coordinate geometry to one K(1), one K(2), one K(3), one Li(1), one Mn(1), and one Mn(2) atom. In the fourth O site, O(4) is bonded in a 6-coordinate geometry to one K(1), one K(2), one K(3), one Li(1), one Mn(1), and one Mn(2) atom. is represented by the CIF file [CIF]
data_K2LiMn2O4
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   6.457
_cell_length_b   6.593
_cell_length_c   6.507
_cell_angle_alpha   94.272
_cell_angle_beta   86.829
_cell_angle_gamma   87.693
_symmetry_Int_Tables_number   1
_cell_volume   275.557
_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  0.979  0.249  0.983  1.0
  K  K1  1  0.021  0.751  0.017  1.0
  K  K2  1  0.500  1.000  1.000  1.0
  K  K3  1  1.000  0.500  0.500  1.0
  Li  Li4  1  0.354  0.241  0.364  1.0
  Li  Li5  1  0.646  0.759  0.636  1.0
  Mn  Mn6  1  0.817  0.037  0.414  1.0
  Mn  Mn7  1  0.415  0.471  0.808  1.0
  Mn  Mn8  1  0.585  0.529  0.192  1.0
  Mn  Mn9  1  0.183  0.963  0.586  1.0
  O  O10  1  0.331  0.427  0.099  1.0
  O  O11  1  0.129  0.043  0.295  1.0
  O  O12  1  0.870  0.957  0.705  1.0
  O  O13  1  0.669  0.573  0.901  1.0
  O  O14  1  0.660  0.284  0.318  1.0
  O  O15  1  0.720  0.741  0.327  1.0
  O  O16  1  0.280  0.259  0.673  1.0
  O  O17  1  0.340  0.716  0.682  1.0
[/CIF]
.