The compound described by K3NiO2 crystallizes in the tetragonal P4_2/mnm space group. There are two inequivalent K sites. In the first K site, K(1) is bonded to four equivalent O(1) atoms to form a mixture of corner and edge-sharing KO4 tetrahedra. In the second K site, K(2) is bonded in a linear geometry to two equivalent O(1) atoms. Ni(1) is bonded in a linear geometry to two equivalent O(1) atoms. O(1) is bonded to one K(2), four equivalent K(1), and one Ni(1) atom to form a mixture of distorted corner and edge-sharing OK5Ni octahedra. The corner-sharing octahedral tilt angles range from 0-67°. is represented by the CIF file [CIF]
data_K3NiO2
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   6.113
_cell_length_b   6.113
_cell_length_c   7.041
_cell_angle_alpha   90.000
_cell_angle_beta   90.000
_cell_angle_gamma   90.000
_symmetry_Int_Tables_number   1
_cell_volume   263.156
_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  0.000  0.500  0.250  1.0
  K  K1  1  0.500  0.000  0.750  1.0
  K  K2  1  0.000  0.500  0.750  1.0
  K  K3  1  0.500  0.000  0.250  1.0
  K  K4  1  0.000  0.000  0.500  1.0
  K  K5  1  0.500  0.500  0.000  1.0
  Ni  Ni6  1  0.500  0.500  0.500  1.0
  Ni  Ni7  1  0.000  0.000  0.000  1.0
  O  O8  1  0.708  0.708  0.500  1.0
  O  O9  1  0.292  0.292  0.500  1.0
  O  O10  1  0.792  0.208  0.000  1.0
  O  O11  1  0.208  0.792  0.000  1.0
[/CIF]
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The compound described by K3NiO2 crystallizes in the tetragonal P4_2/mnm space group. There are two inequivalent K sites. In the first K site, K(1) is bonded to four equivalent O(1) atoms to form a mixture of corner and edge-sharing KO4 tetrahedra. In the second K site, K(2) is bonded in a linear geometry to two equivalent O(1) atoms. Ni(1) is bonded in a linear geometry to two equivalent O(1) atoms. O(1) is bonded to one K(2), four equivalent K(1), and one Ni(1) atom to form a mixture of distorted corner and edge-sharing OK5Ni octahedra. The corner-sharing octahedral tilt angles range from 0-67°. is represented by the CIF file [CIF]
data_K3NiO2
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   6.113
_cell_length_b   6.113
_cell_length_c   7.041
_cell_angle_alpha   90.000
_cell_angle_beta   90.000
_cell_angle_gamma   90.000
_symmetry_Int_Tables_number   1
_cell_volume   263.156
_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  0.000  0.500  0.250  1.0
  K  K1  1  0.500  0.000  0.750  1.0
  K  K2  1  0.000  0.500  0.750  1.0
  K  K3  1  0.500  0.000  0.250  1.0
  K  K4  1  0.000  0.000  0.500  1.0
  K  K5  1  0.500  0.500  0.000  1.0
  Ni  Ni6  1  0.500  0.500  0.500  1.0
  Ni  Ni7  1  0.000  0.000  0.000  1.0
  O  O8  1  0.708  0.708  0.500  1.0
  O  O9  1  0.292  0.292  0.500  1.0
  O  O10  1  0.792  0.208  0.000  1.0
  O  O11  1  0.208  0.792  0.000  1.0
[/CIF]
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