The structure described by Li3(CoS2)4 crystallizes in the trigonal R3m space group. Li(1) is bonded in a distorted rectangular see-saw-like geometry to one S(1), one S(3), and two equivalent S(2) atoms. There are two inequivalent Co sites. In the first Co site, Co(1) is bonded to three equivalent S(2) and three equivalent S(3) atoms to form edge-sharing CoS6 octahedra. In the second Co site, Co(2) is bonded to one S(1), one S(4), two equivalent S(2), and two equivalent S(3) atoms to form distorted edge-sharing CoS6 octahedra. There are four inequivalent S sites. In the first S site, S(1) is bonded in a 6-coordinate geometry to three equivalent Li(1) and three equivalent Co(2) atoms. In the second S site, S(2) is bonded to two equivalent Li(1), one Co(1), and two equivalent Co(2) atoms to form distorted SLi2Co3 trigonal bipyramids that share corners with two equivalent S(2)Li2Co3 trigonal bipyramids, corners with five equivalent S(3)LiCo3 trigonal pyramids, edges with two equivalent S(2)Li2Co3 trigonal bipyramids, and edges with two equivalent S(3)LiCo3 trigonal pyramids. In the third S site, S(3) is bonded to one Li(1), one Co(1), and two equivalent Co(2) atoms to form distorted SLiCo3 trigonal pyramids that share corners with five equivalent S(2)Li2Co3 trigonal bipyramids, corners with four equivalent S(3)LiCo3 trigonal pyramids, and edges with two equivalent S(2)Li2Co3 trigonal bipyramids. In the fourth S site, S(4) is bonded in a distorted T-shaped geometry to three equivalent Co(2) atoms. is represented by the CIF file [CIF]
data_Li3(CoS2)4
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   7.375
_cell_length_b   7.375
_cell_length_c   7.375
_cell_angle_alpha   54.605
_cell_angle_beta   54.605
_cell_angle_gamma   54.605
_symmetry_Int_Tables_number   1
_cell_volume   247.961
_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  0.644  0.644  0.140  1.0
  Li  Li1  1  0.140  0.644  0.644  1.0
  Li  Li2  1  0.644  0.140  0.644  1.0
  Co  Co3  1  0.000  0.000  0.000  1.0
  Co  Co4  1  0.003  0.495  0.495  1.0
  Co  Co5  1  0.495  0.495  0.003  1.0
  Co  Co6  1  0.495  0.003  0.495  1.0
  S  S7  1  0.730  0.730  0.730  1.0
  S  S8  1  0.229  0.727  0.229  1.0
  S  S9  1  0.271  0.771  0.771  1.0
  S  S10  1  0.771  0.771  0.271  1.0
  S  S11  1  0.727  0.229  0.229  1.0
  S  S12  1  0.229  0.229  0.727  1.0
  S  S13  1  0.771  0.271  0.771  1.0
  S  S14  1  0.271  0.271  0.271  1.0
[/CIF]
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The structure described by Li3(CoS2)4 crystallizes in the trigonal R3m space group. Li(1) is bonded in a distorted rectangular see-saw-like geometry to one S(1), one S(3), and two equivalent S(2) atoms. There are two inequivalent Co sites. In the first Co site, Co(1) is bonded to three equivalent S(2) and three equivalent S(3) atoms to form edge-sharing CoS6 octahedra. In the second Co site, Co(2) is bonded to one S(1), one S(4), two equivalent S(2), and two equivalent S(3) atoms to form distorted edge-sharing CoS6 octahedra. There are four inequivalent S sites. In the first S site, S(1) is bonded in a 6-coordinate geometry to three equivalent Li(1) and three equivalent Co(2) atoms. In the second S site, S(2) is bonded to two equivalent Li(1), one Co(1), and two equivalent Co(2) atoms to form distorted SLi2Co3 trigonal bipyramids that share corners with two equivalent S(2)Li2Co3 trigonal bipyramids, corners with five equivalent S(3)LiCo3 trigonal pyramids, edges with two equivalent S(2)Li2Co3 trigonal bipyramids, and edges with two equivalent S(3)LiCo3 trigonal pyramids. In the third S site, S(3) is bonded to one Li(1), one Co(1), and two equivalent Co(2) atoms to form distorted SLiCo3 trigonal pyramids that share corners with five equivalent S(2)Li2Co3 trigonal bipyramids, corners with four equivalent S(3)LiCo3 trigonal pyramids, and edges with two equivalent S(2)Li2Co3 trigonal bipyramids. In the fourth S site, S(4) is bonded in a distorted T-shaped geometry to three equivalent Co(2) atoms. is represented by the CIF file [CIF]
data_Li3(CoS2)4
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   7.375
_cell_length_b   7.375
_cell_length_c   7.375
_cell_angle_alpha   54.605
_cell_angle_beta   54.605
_cell_angle_gamma   54.605
_symmetry_Int_Tables_number   1
_cell_volume   247.961
_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  0.644  0.644  0.140  1.0
  Li  Li1  1  0.140  0.644  0.644  1.0
  Li  Li2  1  0.644  0.140  0.644  1.0
  Co  Co3  1  0.000  0.000  0.000  1.0
  Co  Co4  1  0.003  0.495  0.495  1.0
  Co  Co5  1  0.495  0.495  0.003  1.0
  Co  Co6  1  0.495  0.003  0.495  1.0
  S  S7  1  0.730  0.730  0.730  1.0
  S  S8  1  0.229  0.727  0.229  1.0
  S  S9  1  0.271  0.771  0.771  1.0
  S  S10  1  0.771  0.771  0.271  1.0
  S  S11  1  0.727  0.229  0.229  1.0
  S  S12  1  0.229  0.229  0.727  1.0
  S  S13  1  0.771  0.271  0.771  1.0
  S  S14  1  0.271  0.271  0.271  1.0
[/CIF]
.