The structure described by Sm3CuGeS7 crystallizes in the hexagonal P6_3 space group. Sm(1) is bonded in a 8-coordinate geometry to one S(2), three equivalent S(1), and four equivalent S(3) atoms. Cu(1) is bonded in a trigonal planar geometry to three equivalent S(3) atoms. Ge(1) is bonded in a tetrahedral geometry to one S(2) 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 Sm(1) and one Ge(1) atom. In the second S site, S(2) is bonded in a tetrahedral geometry to three equivalent Sm(1) and one Ge(1) atom. In the third S site, S(3) is bonded in a 5-coordinate geometry to four equivalent Sm(1) and one Cu(1) atom. is represented by the CIF file [CIF]
data_Sm3CuGeS7
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   10.062
_cell_length_b   10.062
_cell_length_c   5.818
_cell_angle_alpha   90.000
_cell_angle_beta   90.000
_cell_angle_gamma   120.000
_symmetry_Int_Tables_number   1
_cell_volume   510.160
_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  0.130  0.773  0.743  1.0
  Sm  Sm1  1  0.357  0.130  0.243  1.0
  Sm  Sm2  1  0.870  0.227  0.243  1.0
  Sm  Sm3  1  0.227  0.357  0.743  1.0
  Sm  Sm4  1  0.643  0.870  0.743  1.0
  Sm  Sm5  1  0.773  0.643  0.243  1.0
  Cu  Cu6  1  0.000  0.000  0.709  1.0
  Cu  Cu7  1  0.000  0.000  0.209  1.0
  Ge  Ge8  1  0.667  0.333  0.827  1.0
  Ge  Ge9  1  0.333  0.667  0.327  1.0
  S  S10  1  0.582  0.103  0.981  1.0
  S  S11  1  0.333  0.667  0.952  1.0
  S  S12  1  0.093  0.839  0.219  1.0
  S  S13  1  0.161  0.254  0.219  1.0
  S  S14  1  0.667  0.333  0.452  1.0
  S  S15  1  0.839  0.746  0.719  1.0
  S  S16  1  0.254  0.093  0.719  1.0
  S  S17  1  0.907  0.161  0.719  1.0
  S  S18  1  0.746  0.907  0.219  1.0
  S  S19  1  0.418  0.897  0.481  1.0
  S  S20  1  0.479  0.582  0.481  1.0
  S  S21  1  0.521  0.418  0.981  1.0
  S  S22  1  0.897  0.479  0.981  1.0
  S  S23  1  0.103  0.521  0.481  1.0
[/CIF]
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The structure described by Sm3CuGeS7 crystallizes in the hexagonal P6_3 space group. Sm(1) is bonded in a 8-coordinate geometry to one S(2), three equivalent S(1), and four equivalent S(3) atoms. Cu(1) is bonded in a trigonal planar geometry to three equivalent S(3) atoms. Ge(1) is bonded in a tetrahedral geometry to one S(2) 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 Sm(1) and one Ge(1) atom. In the second S site, S(2) is bonded in a tetrahedral geometry to three equivalent Sm(1) and one Ge(1) atom. In the third S site, S(3) is bonded in a 5-coordinate geometry to four equivalent Sm(1) and one Cu(1) atom. is represented by the CIF file [CIF]
data_Sm3CuGeS7
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   10.062
_cell_length_b   10.062
_cell_length_c   5.818
_cell_angle_alpha   90.000
_cell_angle_beta   90.000
_cell_angle_gamma   120.000
_symmetry_Int_Tables_number   1
_cell_volume   510.160
_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  0.130  0.773  0.743  1.0
  Sm  Sm1  1  0.357  0.130  0.243  1.0
  Sm  Sm2  1  0.870  0.227  0.243  1.0
  Sm  Sm3  1  0.227  0.357  0.743  1.0
  Sm  Sm4  1  0.643  0.870  0.743  1.0
  Sm  Sm5  1  0.773  0.643  0.243  1.0
  Cu  Cu6  1  0.000  0.000  0.709  1.0
  Cu  Cu7  1  0.000  0.000  0.209  1.0
  Ge  Ge8  1  0.667  0.333  0.827  1.0
  Ge  Ge9  1  0.333  0.667  0.327  1.0
  S  S10  1  0.582  0.103  0.981  1.0
  S  S11  1  0.333  0.667  0.952  1.0
  S  S12  1  0.093  0.839  0.219  1.0
  S  S13  1  0.161  0.254  0.219  1.0
  S  S14  1  0.667  0.333  0.452  1.0
  S  S15  1  0.839  0.746  0.719  1.0
  S  S16  1  0.254  0.093  0.719  1.0
  S  S17  1  0.907  0.161  0.719  1.0
  S  S18  1  0.746  0.907  0.219  1.0
  S  S19  1  0.418  0.897  0.481  1.0
  S  S20  1  0.479  0.582  0.481  1.0
  S  S21  1  0.521  0.418  0.981  1.0
  S  S22  1  0.897  0.479  0.981  1.0
  S  S23  1  0.103  0.521  0.481  1.0
[/CIF]
.