The compound described by La3CoGaS7 crystallizes in the hexagonal P6_3 space group. La(1) is bonded in a 8-coordinate geometry to one S(3), three equivalent S(2), and four equivalent S(1) atoms. Co(1) is bonded to six equivalent S(1) atoms to form face-sharing CoS6 octahedra. Ga(1) is bonded in a tetrahedral geometry to one S(3) and three equivalent S(2) atoms. There are three inequivalent S sites. In the first S site, S(1) is bonded in a 6-coordinate geometry to four equivalent La(1) and two equivalent Co(1) atoms. In the second S site, S(2) is bonded in a rectangular see-saw-like geometry to three equivalent La(1) and one Ga(1) atom. In the third S site, S(3) is bonded in a tetrahedral geometry to three equivalent La(1) and one Ga(1) atom. is represented by the CIF file [CIF]
data_La3GaCoS7
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   10.165
_cell_length_b   10.165
_cell_length_c   5.978
_cell_angle_alpha   90.000
_cell_angle_beta   90.000
_cell_angle_gamma   120.000
_symmetry_Int_Tables_number   1
_cell_volume   535.010
_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
  La  La0  1  0.140  0.370  0.219  1.0
  La  La1  1  0.230  0.860  0.219  1.0
  La  La2  1  0.630  0.770  0.219  1.0
  La  La3  1  0.860  0.630  0.719  1.0
  La  La4  1  0.770  0.140  0.719  1.0
  La  La5  1  0.370  0.230  0.719  1.0
  Ga  Ga6  1  0.667  0.333  0.139  1.0
  Ga  Ga7  1  0.333  0.667  0.639  1.0
  Co  Co8  1  0.000  0.000  0.002  1.0
  Co  Co9  1  0.000  0.000  0.502  1.0
  S  S10  1  0.863  0.085  0.259  1.0
  S  S11  1  0.222  0.137  0.259  1.0
  S  S12  1  0.915  0.778  0.259  1.0
  S  S13  1  0.137  0.915  0.759  1.0
  S  S14  1  0.778  0.863  0.759  1.0
  S  S15  1  0.085  0.222  0.759  1.0
  S  S16  1  0.421  0.517  0.492  1.0
  S  S17  1  0.095  0.579  0.492  1.0
  S  S18  1  0.483  0.905  0.492  1.0
  S  S19  1  0.579  0.483  0.992  1.0
  S  S20  1  0.905  0.421  0.992  1.0
  S  S21  1  0.517  0.095  0.992  1.0
  S  S22  1  0.667  0.333  0.514  1.0
  S  S23  1  0.333  0.667  0.014  1.0
[/CIF]
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The compound described by La3CoGaS7 crystallizes in the hexagonal P6_3 space group. La(1) is bonded in a 8-coordinate geometry to one S(3), three equivalent S(2), and four equivalent S(1) atoms. Co(1) is bonded to six equivalent S(1) atoms to form face-sharing CoS6 octahedra. Ga(1) is bonded in a tetrahedral geometry to one S(3) and three equivalent S(2) atoms. There are three inequivalent S sites. In the first S site, S(1) is bonded in a 6-coordinate geometry to four equivalent La(1) and two equivalent Co(1) atoms. In the second S site, S(2) is bonded in a rectangular see-saw-like geometry to three equivalent La(1) and one Ga(1) atom. In the third S site, S(3) is bonded in a tetrahedral geometry to three equivalent La(1) and one Ga(1) atom. is represented by the CIF file [CIF]
data_La3GaCoS7
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   10.165
_cell_length_b   10.165
_cell_length_c   5.978
_cell_angle_alpha   90.000
_cell_angle_beta   90.000
_cell_angle_gamma   120.000
_symmetry_Int_Tables_number   1
_cell_volume   535.010
_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
  La  La0  1  0.140  0.370  0.219  1.0
  La  La1  1  0.230  0.860  0.219  1.0
  La  La2  1  0.630  0.770  0.219  1.0
  La  La3  1  0.860  0.630  0.719  1.0
  La  La4  1  0.770  0.140  0.719  1.0
  La  La5  1  0.370  0.230  0.719  1.0
  Ga  Ga6  1  0.667  0.333  0.139  1.0
  Ga  Ga7  1  0.333  0.667  0.639  1.0
  Co  Co8  1  0.000  0.000  0.002  1.0
  Co  Co9  1  0.000  0.000  0.502  1.0
  S  S10  1  0.863  0.085  0.259  1.0
  S  S11  1  0.222  0.137  0.259  1.0
  S  S12  1  0.915  0.778  0.259  1.0
  S  S13  1  0.137  0.915  0.759  1.0
  S  S14  1  0.778  0.863  0.759  1.0
  S  S15  1  0.085  0.222  0.759  1.0
  S  S16  1  0.421  0.517  0.492  1.0
  S  S17  1  0.095  0.579  0.492  1.0
  S  S18  1  0.483  0.905  0.492  1.0
  S  S19  1  0.579  0.483  0.992  1.0
  S  S20  1  0.905  0.421  0.992  1.0
  S  S21  1  0.517  0.095  0.992  1.0
  S  S22  1  0.667  0.333  0.514  1.0
  S  S23  1  0.333  0.667  0.014  1.0
[/CIF]
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