The crystal structure described by KLiNiO2 crystallizes in the monoclinic C2/m space group. K(1) is bonded in a 7-coordinate geometry to two equivalent O(1) and five equivalent O(2) atoms. Li(1) is bonded to one O(2) and three equivalent O(1) atoms to form a mixture of corner and edge-sharing LiO4 tetrahedra. Ni(1) is bonded in a 3-coordinate geometry to two equivalent O(1) and two equivalent O(2) atoms. There are two inequivalent O sites. In the first O site, O(1) is bonded in a 7-coordinate geometry to two equivalent K(1), three equivalent Li(1), and two equivalent Ni(1) atoms. In the second O site, O(2) is bonded in a 3-coordinate geometry to five equivalent K(1), one Li(1), and two equivalent Ni(1) atoms. is represented by the Crystallographic Information File (CIF) [CIF]
data_KLiNiO2
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   3.316
_cell_length_b   5.813
_cell_length_c   7.575
_cell_angle_alpha   98.062
_cell_angle_beta   102.635
_cell_angle_gamma   106.564
_symmetry_Int_Tables_number   1
_cell_volume   133.301
_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  0.535  0.696  0.374  1.0
  K  K1  1  0.465  0.304  0.626  1.0
  Li  Li2  1  0.710  0.368  0.051  1.0
  Li  Li3  1  0.290  0.632  0.949  1.0
  Ni  Ni4  1  0.869  0.922  0.816  1.0
  Ni  Ni5  1  0.131  0.078  0.184  1.0
  O  O6  1  0.093  0.268  0.918  1.0
  O  O7  1  0.907  0.732  0.082  1.0
  O  O8  1  0.761  0.224  0.299  1.0
  O  O9  1  0.239  0.776  0.701  1.0
[/CIF]
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The crystal structure described by KLiNiO2 crystallizes in the monoclinic C2/m space group. K(1) is bonded in a 7-coordinate geometry to two equivalent O(1) and five equivalent O(2) atoms. Li(1) is bonded to one O(2) and three equivalent O(1) atoms to form a mixture of corner and edge-sharing LiO4 tetrahedra. Ni(1) is bonded in a 3-coordinate geometry to two equivalent O(1) and two equivalent O(2) atoms. There are two inequivalent O sites. In the first O site, O(1) is bonded in a 7-coordinate geometry to two equivalent K(1), three equivalent Li(1), and two equivalent Ni(1) atoms. In the second O site, O(2) is bonded in a 3-coordinate geometry to five equivalent K(1), one Li(1), and two equivalent Ni(1) atoms. is represented by the Crystallographic Information File (CIF) [CIF]
data_KLiNiO2
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   3.316
_cell_length_b   5.813
_cell_length_c   7.575
_cell_angle_alpha   98.062
_cell_angle_beta   102.635
_cell_angle_gamma   106.564
_symmetry_Int_Tables_number   1
_cell_volume   133.301
_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  0.535  0.696  0.374  1.0
  K  K1  1  0.465  0.304  0.626  1.0
  Li  Li2  1  0.710  0.368  0.051  1.0
  Li  Li3  1  0.290  0.632  0.949  1.0
  Ni  Ni4  1  0.869  0.922  0.816  1.0
  Ni  Ni5  1  0.131  0.078  0.184  1.0
  O  O6  1  0.093  0.268  0.918  1.0
  O  O7  1  0.907  0.732  0.082  1.0
  O  O8  1  0.761  0.224  0.299  1.0
  O  O9  1  0.239  0.776  0.701  1.0
[/CIF]
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