data_LiCoNi2
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   4.31
_cell_length_b   4.31
_cell_length_c   4.3
_cell_angle_alpha   98.26
_cell_angle_beta   98.26
_cell_angle_gamma   32.88
_symmetry_Int_Tables_number   1
_chemical_formula_structural   LiCoNi2
_chemical_formula_sum   'Li1 Co1 Ni2'
_cell_volume   42.9
_cell_formula_units_Z   1
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  Li1  1  0.05  0.0  0.01  1.0
  Co  Co0  1  0.86  0.0  0.23  1.0
  Ni  Ni2  1  0.2  0.0  0.03  1.0
  Ni  Ni3  1  0.6  0.0  0.11  1.0

data_LiCoNi2
_symmetry_space_group_name_H-M   P1
_cell_length_a   2.44
_cell_length_b   4.3
_cell_length_c   4.31
_cell_angle_alpha   98.26
_cell_angle_beta   106.44
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   1
_chemical_formula_structural   LiCoNi2
_chemical_formula_sum   'Li1 Co1 Ni2'
_cell_volume   42.9
_cell_formula_units_Z   1
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  0.0  0.01  0.05  1.0
  Co  Co1  1  0.0  0.23  0.86  1.0
  Ni  Ni2  1  0.0  0.03  0.2  1.0
  Ni  Ni3  1  0.0  0.11  0.6  1.0

Li Co Ni Ni
LiCoNi2 crystallizes in the triclinic P1 space group. The structure is zero-dimensional and consists of one LiCoNi2 cluster. Li(1) is bonded in a bent 120 degrees geometry to one Co(1) and one Ni(1) atom. The Li(1)-Co(1) bond length is 1.34 Å. The Li(1)-Ni(1) bond length is 0.66 Å. Co(1) is bonded in a distorted single-bond geometry to one Li(1) and one Ni(2) atom. The Co(1)-Ni(2) bond length is 1.16 Å. There are two inequivalent Ni sites. In the first Ni site, Ni(1) is bonded in a single-bond geometry to one Li(1) atom. In the second Ni site, Ni(2) is bonded in a distorted single-bond geometry to one Co(1) atom.