The crystal structure described by Li2Co(NiO3)2 crystallizes in the orthorhombic Aea2 space group. Li(1) is bonded in a distorted rectangular see-saw-like geometry to two equivalent O(2) and two equivalent O(3) atoms. Co(1) is bonded to two equivalent O(1), two equivalent O(2), and two equivalent O(3) atoms to form CoO6 octahedra that share edges with three equivalent Ni(1)O6 octahedra and edges with three equivalent Ni(2)O6 octahedra. There are two inequivalent Ni sites. In the first Ni site, Ni(1) is bonded to two equivalent O(1), two equivalent O(2), and two equivalent O(3) atoms to form NiO6 octahedra that share edges with three equivalent Co(1)O6 octahedra and edges with three equivalent Ni(2)O6 octahedra. In the second Ni site, Ni(2) is bonded to two equivalent O(1), two equivalent O(2), and two equivalent O(3) atoms to form NiO6 octahedra that share edges with three equivalent Co(1)O6 octahedra and edges with three equivalent Ni(1)O6 octahedra. There are three inequivalent O sites. In the first O site, O(1) is bonded in a distorted T-shaped geometry to one Co(1), one Ni(1), and one Ni(2) atom. In the second O site, O(2) is bonded to two equivalent Li(1), one Co(1), one Ni(1), and one Ni(2) atom to form a mixture of distorted corner and edge-sharing OLi2CoNi2 square pyramids. In the third O site, O(3) is bonded to two equivalent Li(1), one Co(1), one Ni(1), and one Ni(2) atom to form a mixture of distorted corner and edge-sharing OLi2CoNi2 trigonal bipyramids. is represented by the CIF file [CIF]
data_Li2Co(NiO3)2
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   4.850
_cell_length_b   4.850
_cell_length_c   9.872
_cell_angle_alpha   90.000
_cell_angle_beta   90.000
_cell_angle_gamma   118.491
_symmetry_Int_Tables_number   1
_cell_volume   204.093
_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
  Li  Li0  1  0.146  0.645  0.249  1.0
  Li  Li1  1  0.355  0.854  0.751  1.0
  Li  Li2  1  0.646  0.145  0.251  1.0
  Li  Li3  1  0.855  0.354  0.749  1.0
  Co  Co4  1  0.997  0.003  0.000  1.0
  Co  Co5  1  0.497  0.503  0.500  1.0
  Ni  Ni6  1  0.335  0.665  0.000  1.0
  Ni  Ni7  1  0.835  0.165  0.500  1.0
  Ni  Ni8  1  0.164  0.836  0.500  1.0
  Ni  Ni9  1  0.664  0.336  0.000  1.0
  O  O10  1  0.170  0.171  0.403  1.0
  O  O11  1  0.329  0.330  0.903  1.0
  O  O12  1  0.670  0.671  0.097  1.0
  O  O13  1  0.971  0.317  0.107  1.0
  O  O14  1  0.829  0.830  0.597  1.0
  O  O15  1  0.183  0.529  0.607  1.0
  O  O16  1  0.471  0.817  0.393  1.0
  O  O17  1  0.683  0.029  0.893  1.0
  O  O18  1  0.997  0.662  0.900  1.0
  O  O19  1  0.338  0.003  0.100  1.0
  O  O20  1  0.497  0.162  0.600  1.0
  O  O21  1  0.838  0.503  0.400  1.0
[/CIF]
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The crystal structure described by Li2Co(NiO3)2 crystallizes in the orthorhombic Aea2 space group. Li(1) is bonded in a distorted rectangular see-saw-like geometry to two equivalent O(2) and two equivalent O(3) atoms. Co(1) is bonded to two equivalent O(1), two equivalent O(2), and two equivalent O(3) atoms to form CoO6 octahedra that share edges with three equivalent Ni(1)O6 octahedra and edges with three equivalent Ni(2)O6 octahedra. There are two inequivalent Ni sites. In the first Ni site, Ni(1) is bonded to two equivalent O(1), two equivalent O(2), and two equivalent O(3) atoms to form NiO6 octahedra that share edges with three equivalent Co(1)O6 octahedra and edges with three equivalent Ni(2)O6 octahedra. In the second Ni site, Ni(2) is bonded to two equivalent O(1), two equivalent O(2), and two equivalent O(3) atoms to form NiO6 octahedra that share edges with three equivalent Co(1)O6 octahedra and edges with three equivalent Ni(1)O6 octahedra. There are three inequivalent O sites. In the first O site, O(1) is bonded in a distorted T-shaped geometry to one Co(1), one Ni(1), and one Ni(2) atom. In the second O site, O(2) is bonded to two equivalent Li(1), one Co(1), one Ni(1), and one Ni(2) atom to form a mixture of distorted corner and edge-sharing OLi2CoNi2 square pyramids. In the third O site, O(3) is bonded to two equivalent Li(1), one Co(1), one Ni(1), and one Ni(2) atom to form a mixture of distorted corner and edge-sharing OLi2CoNi2 trigonal bipyramids. is represented by the CIF file [CIF]
data_Li2Co(NiO3)2
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   4.850
_cell_length_b   4.850
_cell_length_c   9.872
_cell_angle_alpha   90.000
_cell_angle_beta   90.000
_cell_angle_gamma   118.491
_symmetry_Int_Tables_number   1
_cell_volume   204.093
_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
  Li  Li0  1  0.146  0.645  0.249  1.0
  Li  Li1  1  0.355  0.854  0.751  1.0
  Li  Li2  1  0.646  0.145  0.251  1.0
  Li  Li3  1  0.855  0.354  0.749  1.0
  Co  Co4  1  0.997  0.003  0.000  1.0
  Co  Co5  1  0.497  0.503  0.500  1.0
  Ni  Ni6  1  0.335  0.665  0.000  1.0
  Ni  Ni7  1  0.835  0.165  0.500  1.0
  Ni  Ni8  1  0.164  0.836  0.500  1.0
  Ni  Ni9  1  0.664  0.336  0.000  1.0
  O  O10  1  0.170  0.171  0.403  1.0
  O  O11  1  0.329  0.330  0.903  1.0
  O  O12  1  0.670  0.671  0.097  1.0
  O  O13  1  0.971  0.317  0.107  1.0
  O  O14  1  0.829  0.830  0.597  1.0
  O  O15  1  0.183  0.529  0.607  1.0
  O  O16  1  0.471  0.817  0.393  1.0
  O  O17  1  0.683  0.029  0.893  1.0
  O  O18  1  0.997  0.662  0.900  1.0
  O  O19  1  0.338  0.003  0.100  1.0
  O  O20  1  0.497  0.162  0.600  1.0
  O  O21  1  0.838  0.503  0.400  1.0
[/CIF]
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