The compound described by La3CoInS7 crystallizes in the hexagonal P6_3 space group. La(1) is bonded in a 7-coordinate geometry to one S(3), three equivalent S(1), and three equivalent S(2) atoms. Co(1) is bonded to six equivalent S(1) atoms to form face-sharing CoS6 octahedra. In(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 to three equivalent La(1) and two equivalent Co(1) atoms to form distorted SLa3Co2 square pyramids that share corners with two equivalent S(1)La3Co2 square pyramids, corners with three equivalent S(3)La3In tetrahedra, edges with four equivalent S(1)La3Co2 square pyramids, and faces with two equivalent S(1)La3Co2 square pyramids. In the second S site, S(2) is bonded in a rectangular see-saw-like geometry to three equivalent La(1) and one In(1) atom. In the third S site, S(3) is bonded to three equivalent La(1) and one In(1) atom to form corner-sharing SLa3In tetrahedra. is represented by the Crystallographic Information File (CIF) [CIF]
data_La3InCoS7
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   10.147
_cell_length_b   10.147
_cell_length_c   6.258
_cell_angle_alpha   90.000
_cell_angle_beta   90.000
_cell_angle_gamma   120.000
_symmetry_Int_Tables_number   1
_cell_volume   558.003
_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  0.149  0.371  0.804  1.0
  La  La1  1  0.221  0.851  0.804  1.0
  La  La2  1  0.629  0.779  0.804  1.0
  La  La3  1  0.851  0.629  0.304  1.0
  La  La4  1  0.779  0.149  0.304  1.0
  La  La5  1  0.371  0.221  0.304  1.0
  In  In6  1  0.667  0.333  0.877  1.0
  In  In7  1  0.333  0.667  0.377  1.0
  Co  Co8  1  0.000  0.000  0.495  1.0
  Co  Co9  1  0.000  0.000  0.995  1.0
  S  S10  1  0.872  0.089  0.735  1.0
  S  S11  1  0.217  0.128  0.735  1.0
  S  S12  1  0.911  0.783  0.735  1.0
  S  S13  1  0.128  0.911  0.235  1.0
  S  S14  1  0.783  0.872  0.235  1.0
  S  S15  1  0.089  0.217  0.235  1.0
  S  S16  1  0.433  0.513  0.543  1.0
  S  S17  1  0.079  0.567  0.543  1.0
  S  S18  1  0.487  0.921  0.543  1.0
  S  S19  1  0.567  0.487  0.043  1.0
  S  S20  1  0.921  0.433  0.043  1.0
  S  S21  1  0.513  0.079  0.043  1.0
  S  S22  1  0.667  0.333  0.491  1.0
  S  S23  1  0.333  0.667  0.991  1.0
[/CIF]
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The compound described by La3CoInS7 crystallizes in the hexagonal P6_3 space group. La(1) is bonded in a 7-coordinate geometry to one S(3), three equivalent S(1), and three equivalent S(2) atoms. Co(1) is bonded to six equivalent S(1) atoms to form face-sharing CoS6 octahedra. In(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 to three equivalent La(1) and two equivalent Co(1) atoms to form distorted SLa3Co2 square pyramids that share corners with two equivalent S(1)La3Co2 square pyramids, corners with three equivalent S(3)La3In tetrahedra, edges with four equivalent S(1)La3Co2 square pyramids, and faces with two equivalent S(1)La3Co2 square pyramids. In the second S site, S(2) is bonded in a rectangular see-saw-like geometry to three equivalent La(1) and one In(1) atom. In the third S site, S(3) is bonded to three equivalent La(1) and one In(1) atom to form corner-sharing SLa3In tetrahedra. is represented by the Crystallographic Information File (CIF) [CIF]
data_La3InCoS7
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   10.147
_cell_length_b   10.147
_cell_length_c   6.258
_cell_angle_alpha   90.000
_cell_angle_beta   90.000
_cell_angle_gamma   120.000
_symmetry_Int_Tables_number   1
_cell_volume   558.003
_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  0.149  0.371  0.804  1.0
  La  La1  1  0.221  0.851  0.804  1.0
  La  La2  1  0.629  0.779  0.804  1.0
  La  La3  1  0.851  0.629  0.304  1.0
  La  La4  1  0.779  0.149  0.304  1.0
  La  La5  1  0.371  0.221  0.304  1.0
  In  In6  1  0.667  0.333  0.877  1.0
  In  In7  1  0.333  0.667  0.377  1.0
  Co  Co8  1  0.000  0.000  0.495  1.0
  Co  Co9  1  0.000  0.000  0.995  1.0
  S  S10  1  0.872  0.089  0.735  1.0
  S  S11  1  0.217  0.128  0.735  1.0
  S  S12  1  0.911  0.783  0.735  1.0
  S  S13  1  0.128  0.911  0.235  1.0
  S  S14  1  0.783  0.872  0.235  1.0
  S  S15  1  0.089  0.217  0.235  1.0
  S  S16  1  0.433  0.513  0.543  1.0
  S  S17  1  0.079  0.567  0.543  1.0
  S  S18  1  0.487  0.921  0.543  1.0
  S  S19  1  0.567  0.487  0.043  1.0
  S  S20  1  0.921  0.433  0.043  1.0
  S  S21  1  0.513  0.079  0.043  1.0
  S  S22  1  0.667  0.333  0.491  1.0
  S  S23  1  0.333  0.667  0.991  1.0
[/CIF]
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