The compound described by KLi2FeO3 crystallizes in the monoclinic Cc space group. K(1) is bonded in a 6-coordinate geometry to two equivalent O(1), two equivalent O(2), and two equivalent O(3) atoms. There are two inequivalent Li sites. In the first Li site, Li(1) is bonded in a trigonal planar geometry to one O(1) and two equivalent O(3) atoms. In the second Li site, Li(2) is bonded in a trigonal planar geometry to one O(1) and two equivalent O(2) atoms. Fe(1) is bonded to one O(2), one O(3), and two equivalent O(1) atoms to form corner-sharing FeO4 tetrahedra. There are three inequivalent O sites. In the first O site, O(1) is bonded to two equivalent K(1), one Li(1), one Li(2), and two equivalent Fe(1) atoms to form edge-sharing OK2Li2Fe2 octahedra. In the second O site, O(2) is bonded in a 3-coordinate geometry to two equivalent K(1), two equivalent Li(2), and one Fe(1) atom. In the third O site, O(3) is bonded in a 3-coordinate geometry to two equivalent K(1), two equivalent Li(1), and one Fe(1) atom. is represented by the Crystallographic Information File (CIF) [CIF]
data_KLi2FeO3
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   5.495
_cell_length_b   5.495
_cell_length_c   6.151
_cell_angle_alpha   89.912
_cell_angle_beta   89.912
_cell_angle_gamma   73.428
_symmetry_Int_Tables_number   1
_cell_volume   178.000
_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  0.313  0.670  0.746  1.0
  K  K1  1  0.670  0.313  0.246  1.0
  Li  Li2  1  0.221  0.216  0.498  1.0
  Li  Li3  1  0.216  0.221  0.998  1.0
  Li  Li4  1  0.761  0.758  0.501  1.0
  Li  Li5  1  0.758  0.761  0.001  1.0
  Fe  Fe6  1  0.803  0.175  0.750  1.0
  Fe  Fe7  1  0.175  0.803  0.250  1.0
  O  O8  1  0.988  0.989  0.999  1.0
  O  O9  1  0.989  0.988  0.499  1.0
  O  O10  1  0.506  0.824  0.255  1.0
  O  O11  1  0.149  0.471  0.251  1.0
  O  O12  1  0.471  0.149  0.751  1.0
  O  O13  1  0.824  0.506  0.755  1.0
[/CIF]
.
The compound described by KLi2FeO3 crystallizes in the monoclinic Cc space group. K(1) is bonded in a 6-coordinate geometry to two equivalent O(1), two equivalent O(2), and two equivalent O(3) atoms. There are two inequivalent Li sites. In the first Li site, Li(1) is bonded in a trigonal planar geometry to one O(1) and two equivalent O(3) atoms. In the second Li site, Li(2) is bonded in a trigonal planar geometry to one O(1) and two equivalent O(2) atoms. Fe(1) is bonded to one O(2), one O(3), and two equivalent O(1) atoms to form corner-sharing FeO4 tetrahedra. There are three inequivalent O sites. In the first O site, O(1) is bonded to two equivalent K(1), one Li(1), one Li(2), and two equivalent Fe(1) atoms to form edge-sharing OK2Li2Fe2 octahedra. In the second O site, O(2) is bonded in a 3-coordinate geometry to two equivalent K(1), two equivalent Li(2), and one Fe(1) atom. In the third O site, O(3) is bonded in a 3-coordinate geometry to two equivalent K(1), two equivalent Li(1), and one Fe(1) atom. is represented by the Crystallographic Information File (CIF) [CIF]
data_KLi2FeO3
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   5.495
_cell_length_b   5.495
_cell_length_c   6.151
_cell_angle_alpha   89.912
_cell_angle_beta   89.912
_cell_angle_gamma   73.428
_symmetry_Int_Tables_number   1
_cell_volume   178.000
_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  0.313  0.670  0.746  1.0
  K  K1  1  0.670  0.313  0.246  1.0
  Li  Li2  1  0.221  0.216  0.498  1.0
  Li  Li3  1  0.216  0.221  0.998  1.0
  Li  Li4  1  0.761  0.758  0.501  1.0
  Li  Li5  1  0.758  0.761  0.001  1.0
  Fe  Fe6  1  0.803  0.175  0.750  1.0
  Fe  Fe7  1  0.175  0.803  0.250  1.0
  O  O8  1  0.988  0.989  0.999  1.0
  O  O9  1  0.989  0.988  0.499  1.0
  O  O10  1  0.506  0.824  0.255  1.0
  O  O11  1  0.149  0.471  0.251  1.0
  O  O12  1  0.471  0.149  0.751  1.0
  O  O13  1  0.824  0.506  0.755  1.0
[/CIF]
.