The material described by Li3Co is Uranium Silicide-like structured and crystallizes in the tetragonal I4/mmm space group. There are two inequivalent Li sites. In the first Li site, Li(1) is bonded to four equivalent Co(1) atoms to form a mixture of distorted corner and edge-sharing LiCo4 cuboctahedra. In the second Li site, Li(2) is bonded in a distorted square co-planar geometry to four equivalent Co(1) atoms. Co(1) is bonded to four equivalent Li(2) and eight equivalent Li(1) atoms to form a mixture of face, corner, and edge-sharing CoLi12 cuboctahedra. is represented by the CIF file [CIF]
data_Li3Co
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   4.721
_cell_length_b   4.721
_cell_length_c   4.721
_cell_angle_alpha   132.386
_cell_angle_beta   132.386
_cell_angle_gamma   69.620
_symmetry_Int_Tables_number   1
_cell_volume   56.323
_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  0.750  0.250  0.500  1.0
  Li  Li1  1  0.250  0.750  0.500  1.0
  Li  Li2  1  0.500  0.500  0.000  1.0
  Co  Co3  1  0.000  0.000  0.000  1.0
[/CIF]
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The material described by Li3Co is Uranium Silicide-like structured and crystallizes in the tetragonal I4/mmm space group. There are two inequivalent Li sites. In the first Li site, Li(1) is bonded to four equivalent Co(1) atoms to form a mixture of distorted corner and edge-sharing LiCo4 cuboctahedra. In the second Li site, Li(2) is bonded in a distorted square co-planar geometry to four equivalent Co(1) atoms. Co(1) is bonded to four equivalent Li(2) and eight equivalent Li(1) atoms to form a mixture of face, corner, and edge-sharing CoLi12 cuboctahedra. is represented by the CIF file [CIF]
data_Li3Co
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   4.721
_cell_length_b   4.721
_cell_length_c   4.721
_cell_angle_alpha   132.386
_cell_angle_beta   132.386
_cell_angle_gamma   69.620
_symmetry_Int_Tables_number   1
_cell_volume   56.323
_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  0.750  0.250  0.500  1.0
  Li  Li1  1  0.250  0.750  0.500  1.0
  Li  Li2  1  0.500  0.500  0.000  1.0
  Co  Co3  1  0.000  0.000  0.000  1.0
[/CIF]
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