The material structure described by Sm3CuSiS7 crystallizes in the hexagonal P6_3 space group. Sm(1) is bonded in a 8-coordinate geometry to one S(3), three equivalent S(2), and four equivalent S(1) atoms. Cu(1) is bonded in a trigonal planar geometry to three equivalent S(1) atoms. Si(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 5-coordinate geometry to four equivalent Sm(1) and one Cu(1) atom. In the second S site, S(2) is bonded in a distorted rectangular see-saw-like geometry to three equivalent Sm(1) and one Si(1) atom. In the third S site, S(3) is bonded in a distorted tetrahedral geometry to three equivalent Sm(1) and one Si(1) atom. is represented by the Crystallographic Information File (CIF) [CIF]
data_Sm3CuSiS7
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   10.096
_cell_length_b   10.096
_cell_length_c   5.755
_cell_angle_alpha   90.000
_cell_angle_beta   90.000
_cell_angle_gamma   120.000
_symmetry_Int_Tables_number   1
_cell_volume   508.002
_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  0.125  0.356  0.750  1.0
  Sm  Sm1  1  0.644  0.768  0.750  1.0
  Sm  Sm2  1  0.875  0.644  0.250  1.0
  Sm  Sm3  1  0.356  0.232  0.250  1.0
  Sm  Sm4  1  0.232  0.875  0.750  1.0
  Sm  Sm5  1  0.768  0.125  0.250  1.0
  Cu  Cu6  1  0.000  0.000  0.720  1.0
  Cu  Cu7  1  0.000  0.000  0.220  1.0
  Si  Si8  1  0.667  0.333  0.837  1.0
  Si  Si9  1  0.333  0.667  0.337  1.0
  S  S10  1  0.254  0.165  0.732  1.0
  S  S11  1  0.523  0.110  0.984  1.0
  S  S12  1  0.110  0.587  0.484  1.0
  S  S13  1  0.890  0.413  0.984  1.0
  S  S14  1  0.413  0.523  0.484  1.0
  S  S15  1  0.746  0.835  0.232  1.0
  S  S16  1  0.667  0.333  0.470  1.0
  S  S17  1  0.165  0.911  0.232  1.0
  S  S18  1  0.333  0.667  0.970  1.0
  S  S19  1  0.587  0.477  0.984  1.0
  S  S20  1  0.835  0.089  0.732  1.0
  S  S21  1  0.911  0.746  0.732  1.0
  S  S22  1  0.477  0.890  0.484  1.0
  S  S23  1  0.089  0.254  0.232  1.0
[/CIF]
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The material structure described by Sm3CuSiS7 crystallizes in the hexagonal P6_3 space group. Sm(1) is bonded in a 8-coordinate geometry to one S(3), three equivalent S(2), and four equivalent S(1) atoms. Cu(1) is bonded in a trigonal planar geometry to three equivalent S(1) atoms. Si(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 5-coordinate geometry to four equivalent Sm(1) and one Cu(1) atom. In the second S site, S(2) is bonded in a distorted rectangular see-saw-like geometry to three equivalent Sm(1) and one Si(1) atom. In the third S site, S(3) is bonded in a distorted tetrahedral geometry to three equivalent Sm(1) and one Si(1) atom. is represented by the Crystallographic Information File (CIF) [CIF]
data_Sm3CuSiS7
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   10.096
_cell_length_b   10.096
_cell_length_c   5.755
_cell_angle_alpha   90.000
_cell_angle_beta   90.000
_cell_angle_gamma   120.000
_symmetry_Int_Tables_number   1
_cell_volume   508.002
_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  0.125  0.356  0.750  1.0
  Sm  Sm1  1  0.644  0.768  0.750  1.0
  Sm  Sm2  1  0.875  0.644  0.250  1.0
  Sm  Sm3  1  0.356  0.232  0.250  1.0
  Sm  Sm4  1  0.232  0.875  0.750  1.0
  Sm  Sm5  1  0.768  0.125  0.250  1.0
  Cu  Cu6  1  0.000  0.000  0.720  1.0
  Cu  Cu7  1  0.000  0.000  0.220  1.0
  Si  Si8  1  0.667  0.333  0.837  1.0
  Si  Si9  1  0.333  0.667  0.337  1.0
  S  S10  1  0.254  0.165  0.732  1.0
  S  S11  1  0.523  0.110  0.984  1.0
  S  S12  1  0.110  0.587  0.484  1.0
  S  S13  1  0.890  0.413  0.984  1.0
  S  S14  1  0.413  0.523  0.484  1.0
  S  S15  1  0.746  0.835  0.232  1.0
  S  S16  1  0.667  0.333  0.470  1.0
  S  S17  1  0.165  0.911  0.232  1.0
  S  S18  1  0.333  0.667  0.970  1.0
  S  S19  1  0.587  0.477  0.984  1.0
  S  S20  1  0.835  0.089  0.732  1.0
  S  S21  1  0.911  0.746  0.732  1.0
  S  S22  1  0.477  0.890  0.484  1.0
  S  S23  1  0.089  0.254  0.232  1.0
[/CIF]
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