The structure described by Sm3CuSnS7 crystallizes in the hexagonal P6_3 space group. Sm(1) is bonded in a 9-coordinate geometry to one Cu(1), one S(3), three equivalent S(1), and four equivalent S(2) atoms. Cu(1) is bonded in a trigonal planar geometry to three equivalent Sm(1) and 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 rectangular see-saw-like geometry to three equivalent Sm(1) and one Sn(1) atom. In the second S site, S(2) is bonded in a 4-coordinate geometry to four equivalent Sm(1) and one Cu(1) atom. In the third S site, S(3) is bonded in a tetrahedral geometry to three equivalent Sm(1) and one Sn(1) atom. is represented by the CIF file [CIF]
data_Sm3CuSnS7
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   10.016
_cell_length_b   10.016
_cell_length_c   6.162
_cell_angle_alpha   90.000
_cell_angle_beta   90.000
_cell_angle_gamma   120.000
_symmetry_Int_Tables_number   1
_cell_volume   535.336
_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
  Sm  Sm0  1  0.142  0.784  0.765  1.0
  Sm  Sm1  1  0.216  0.358  0.765  1.0
  Sm  Sm2  1  0.858  0.216  0.265  1.0
  Sm  Sm3  1  0.358  0.142  0.265  1.0
  Sm  Sm4  1  0.642  0.858  0.765  1.0
  Sm  Sm5  1  0.784  0.642  0.265  1.0
  Cu  Cu6  1  0.000  0.000  0.194  1.0
  Cu  Cu7  1  0.000  0.000  0.694  1.0
  Sn  Sn8  1  0.667  0.333  0.834  1.0
  Sn  Sn9  1  0.333  0.667  0.334  1.0
  S  S10  1  0.914  0.483  0.010  1.0
  S  S11  1  0.105  0.848  0.209  1.0
  S  S12  1  0.431  0.914  0.510  1.0
  S  S13  1  0.848  0.743  0.709  1.0
  S  S14  1  0.152  0.257  0.209  1.0
  S  S15  1  0.569  0.086  0.010  1.0
  S  S16  1  0.517  0.431  0.010  1.0
  S  S17  1  0.483  0.569  0.510  1.0
  S  S18  1  0.667  0.333  0.447  1.0
  S  S19  1  0.895  0.152  0.709  1.0
  S  S20  1  0.333  0.667  0.947  1.0
  S  S21  1  0.743  0.895  0.209  1.0
  S  S22  1  0.257  0.105  0.709  1.0
  S  S23  1  0.086  0.517  0.510  1.0
[/CIF]
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The structure described by Sm3CuSnS7 crystallizes in the hexagonal P6_3 space group. Sm(1) is bonded in a 9-coordinate geometry to one Cu(1), one S(3), three equivalent S(1), and four equivalent S(2) atoms. Cu(1) is bonded in a trigonal planar geometry to three equivalent Sm(1) and 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 rectangular see-saw-like geometry to three equivalent Sm(1) and one Sn(1) atom. In the second S site, S(2) is bonded in a 4-coordinate geometry to four equivalent Sm(1) and one Cu(1) atom. In the third S site, S(3) is bonded in a tetrahedral geometry to three equivalent Sm(1) and one Sn(1) atom. is represented by the CIF file [CIF]
data_Sm3CuSnS7
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   10.016
_cell_length_b   10.016
_cell_length_c   6.162
_cell_angle_alpha   90.000
_cell_angle_beta   90.000
_cell_angle_gamma   120.000
_symmetry_Int_Tables_number   1
_cell_volume   535.336
_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
  Sm  Sm0  1  0.142  0.784  0.765  1.0
  Sm  Sm1  1  0.216  0.358  0.765  1.0
  Sm  Sm2  1  0.858  0.216  0.265  1.0
  Sm  Sm3  1  0.358  0.142  0.265  1.0
  Sm  Sm4  1  0.642  0.858  0.765  1.0
  Sm  Sm5  1  0.784  0.642  0.265  1.0
  Cu  Cu6  1  0.000  0.000  0.194  1.0
  Cu  Cu7  1  0.000  0.000  0.694  1.0
  Sn  Sn8  1  0.667  0.333  0.834  1.0
  Sn  Sn9  1  0.333  0.667  0.334  1.0
  S  S10  1  0.914  0.483  0.010  1.0
  S  S11  1  0.105  0.848  0.209  1.0
  S  S12  1  0.431  0.914  0.510  1.0
  S  S13  1  0.848  0.743  0.709  1.0
  S  S14  1  0.152  0.257  0.209  1.0
  S  S15  1  0.569  0.086  0.010  1.0
  S  S16  1  0.517  0.431  0.010  1.0
  S  S17  1  0.483  0.569  0.510  1.0
  S  S18  1  0.667  0.333  0.447  1.0
  S  S19  1  0.895  0.152  0.709  1.0
  S  S20  1  0.333  0.667  0.947  1.0
  S  S21  1  0.743  0.895  0.209  1.0
  S  S22  1  0.257  0.105  0.709  1.0
  S  S23  1  0.086  0.517  0.510  1.0
[/CIF]
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