The structure described by Tb3CuSnS7 crystallizes in the hexagonal P6_3 space group. Tb(1) is bonded in a 7-coordinate geometry to one S(3), three equivalent S(1), and three equivalent S(2) atoms. Cu(1) is bonded in a trigonal planar geometry to three equivalent S(2) atoms. Sn(1) is bonded in a tetrahedral geometry to one S(3) and three equivalent S(1) atoms. There are three inequivalent S sites. In the first S site, S(1) is bonded in a distorted rectangular see-saw-like geometry to three equivalent Tb(1) and one Sn(1) atom. In the second S site, S(2) is bonded in a 4-coordinate geometry to three equivalent Tb(1) and one Cu(1) atom. In the third S site, S(3) is bonded in a tetrahedral geometry to three equivalent Tb(1) and one Sn(1) atom. is represented by the CIF card [CIF]
data_Tb3CuSnS7
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   9.819
_cell_length_b   9.819
_cell_length_c   6.213
_cell_angle_alpha   90.000
_cell_angle_beta   90.000
_cell_angle_gamma   120.000
_symmetry_Int_Tables_number   1
_cell_volume   518.778
_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
  Tb  Tb0  1  0.359  0.149  0.273  1.0
  Tb  Tb1  1  0.149  0.790  0.773  1.0
  Tb  Tb2  1  0.790  0.641  0.273  1.0
  Tb  Tb3  1  0.641  0.851  0.773  1.0
  Tb  Tb4  1  0.210  0.359  0.773  1.0
  Tb  Tb5  1  0.851  0.210  0.273  1.0
  Cu  Cu6  1  0.000  0.000  0.674  1.0
  Cu  Cu7  1  0.000  0.000  0.174  1.0
  Sn  Sn8  1  0.667  0.333  0.838  1.0
  Sn  Sn9  1  0.333  0.667  0.338  1.0
  S  S10  1  0.563  0.083  0.019  1.0
  S  S11  1  0.519  0.437  0.019  1.0
  S  S12  1  0.917  0.481  0.019  1.0
  S  S13  1  0.481  0.563  0.519  1.0
  S  S14  1  0.148  0.261  0.200  1.0
  S  S15  1  0.437  0.917  0.519  1.0
  S  S16  1  0.261  0.113  0.700  1.0
  S  S17  1  0.667  0.333  0.453  1.0
  S  S18  1  0.113  0.852  0.200  1.0
  S  S19  1  0.083  0.519  0.519  1.0
  S  S20  1  0.333  0.667  0.953  1.0
  S  S21  1  0.887  0.148  0.700  1.0
  S  S22  1  0.852  0.739  0.700  1.0
  S  S23  1  0.739  0.887  0.200  1.0
[/CIF]
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The structure described by Tb3CuSnS7 crystallizes in the hexagonal P6_3 space group. Tb(1) is bonded in a 7-coordinate geometry to one S(3), three equivalent S(1), and three equivalent S(2) atoms. Cu(1) is bonded in a trigonal planar geometry to three equivalent S(2) atoms. Sn(1) is bonded in a tetrahedral geometry to one S(3) and three equivalent S(1) atoms. There are three inequivalent S sites. In the first S site, S(1) is bonded in a distorted rectangular see-saw-like geometry to three equivalent Tb(1) and one Sn(1) atom. In the second S site, S(2) is bonded in a 4-coordinate geometry to three equivalent Tb(1) and one Cu(1) atom. In the third S site, S(3) is bonded in a tetrahedral geometry to three equivalent Tb(1) and one Sn(1) atom. is represented by the CIF card [CIF]
data_Tb3CuSnS7
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   9.819
_cell_length_b   9.819
_cell_length_c   6.213
_cell_angle_alpha   90.000
_cell_angle_beta   90.000
_cell_angle_gamma   120.000
_symmetry_Int_Tables_number   1
_cell_volume   518.778
_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
  Tb  Tb0  1  0.359  0.149  0.273  1.0
  Tb  Tb1  1  0.149  0.790  0.773  1.0
  Tb  Tb2  1  0.790  0.641  0.273  1.0
  Tb  Tb3  1  0.641  0.851  0.773  1.0
  Tb  Tb4  1  0.210  0.359  0.773  1.0
  Tb  Tb5  1  0.851  0.210  0.273  1.0
  Cu  Cu6  1  0.000  0.000  0.674  1.0
  Cu  Cu7  1  0.000  0.000  0.174  1.0
  Sn  Sn8  1  0.667  0.333  0.838  1.0
  Sn  Sn9  1  0.333  0.667  0.338  1.0
  S  S10  1  0.563  0.083  0.019  1.0
  S  S11  1  0.519  0.437  0.019  1.0
  S  S12  1  0.917  0.481  0.019  1.0
  S  S13  1  0.481  0.563  0.519  1.0
  S  S14  1  0.148  0.261  0.200  1.0
  S  S15  1  0.437  0.917  0.519  1.0
  S  S16  1  0.261  0.113  0.700  1.0
  S  S17  1  0.667  0.333  0.453  1.0
  S  S18  1  0.113  0.852  0.200  1.0
  S  S19  1  0.083  0.519  0.519  1.0
  S  S20  1  0.333  0.667  0.953  1.0
  S  S21  1  0.887  0.148  0.700  1.0
  S  S22  1  0.852  0.739  0.700  1.0
  S  S23  1  0.739  0.887  0.200  1.0
[/CIF]
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