The material described by SmCuTeS crystallizes in the orthorhombic Pbca space group. Sm(1) is bonded in a 4-coordinate geometry to three equivalent Te(1) and four equivalent S(1) atoms. Cu(1) is bonded in a 1-coordinate geometry to three equivalent Te(1) and one S(1) atom. Te(1) is bonded in a 6-coordinate geometry to three equivalent Sm(1) and three equivalent Cu(1) atoms. S(1) is bonded to four equivalent Sm(1) and one Cu(1) atom to form a mixture of corner and edge-sharing SSm4Cu trigonal bipyramids. is represented by the Crystallographic Information File (CIF) [CIF]
data_SmCuTeS
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   7.567
_cell_length_b   7.594
_cell_length_c   12.703
_cell_angle_alpha   90.000
_cell_angle_beta   90.000
_cell_angle_gamma   90.000
_symmetry_Int_Tables_number   1
_cell_volume   729.961
_cell_formula_units_Z   8
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  0.522  0.241  0.068  1.0
  Sm  Sm1  1  0.022  0.259  0.932  1.0
  Sm  Sm2  1  0.478  0.759  0.932  1.0
  Sm  Sm3  1  0.478  0.741  0.432  1.0
  Sm  Sm4  1  0.978  0.741  0.068  1.0
  Sm  Sm5  1  0.522  0.259  0.568  1.0
  Sm  Sm6  1  0.022  0.241  0.432  1.0
  Sm  Sm7  1  0.978  0.759  0.568  1.0
  Cu  Cu8  1  0.169  0.071  0.209  1.0
  Cu  Cu9  1  0.669  0.071  0.291  1.0
  Cu  Cu10  1  0.169  0.429  0.709  1.0
  Cu  Cu11  1  0.331  0.571  0.209  1.0
  Cu  Cu12  1  0.831  0.571  0.291  1.0
  Cu  Cu13  1  0.331  0.929  0.709  1.0
  Cu  Cu14  1  0.669  0.429  0.791  1.0
  Cu  Cu15  1  0.831  0.929  0.791  1.0
  Te  Te16  1  0.891  0.222  0.693  1.0
  Te  Te17  1  0.609  0.778  0.193  1.0
  Te  Te18  1  0.609  0.722  0.693  1.0
  Te  Te19  1  0.109  0.778  0.307  1.0
  Te  Te20  1  0.109  0.722  0.807  1.0
  Te  Te21  1  0.391  0.222  0.807  1.0
  Te  Te22  1  0.891  0.278  0.193  1.0
  Te  Te23  1  0.391  0.278  0.307  1.0
  S  S24  1  0.760  0.998  0.962  1.0
  S  S25  1  0.260  0.998  0.538  1.0
  S  S26  1  0.740  0.002  0.462  1.0
  S  S27  1  0.760  0.502  0.462  1.0
  S  S28  1  0.240  0.002  0.038  1.0
  S  S29  1  0.740  0.498  0.962  1.0
  S  S30  1  0.260  0.502  0.038  1.0
  S  S31  1  0.240  0.498  0.538  1.0
[/CIF]
.
The material described by SmCuTeS crystallizes in the orthorhombic Pbca space group. Sm(1) is bonded in a 4-coordinate geometry to three equivalent Te(1) and four equivalent S(1) atoms. Cu(1) is bonded in a 1-coordinate geometry to three equivalent Te(1) and one S(1) atom. Te(1) is bonded in a 6-coordinate geometry to three equivalent Sm(1) and three equivalent Cu(1) atoms. S(1) is bonded to four equivalent Sm(1) and one Cu(1) atom to form a mixture of corner and edge-sharing SSm4Cu trigonal bipyramids. is represented by the Crystallographic Information File (CIF) [CIF]
data_SmCuTeS
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   7.567
_cell_length_b   7.594
_cell_length_c   12.703
_cell_angle_alpha   90.000
_cell_angle_beta   90.000
_cell_angle_gamma   90.000
_symmetry_Int_Tables_number   1
_cell_volume   729.961
_cell_formula_units_Z   8
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  0.522  0.241  0.068  1.0
  Sm  Sm1  1  0.022  0.259  0.932  1.0
  Sm  Sm2  1  0.478  0.759  0.932  1.0
  Sm  Sm3  1  0.478  0.741  0.432  1.0
  Sm  Sm4  1  0.978  0.741  0.068  1.0
  Sm  Sm5  1  0.522  0.259  0.568  1.0
  Sm  Sm6  1  0.022  0.241  0.432  1.0
  Sm  Sm7  1  0.978  0.759  0.568  1.0
  Cu  Cu8  1  0.169  0.071  0.209  1.0
  Cu  Cu9  1  0.669  0.071  0.291  1.0
  Cu  Cu10  1  0.169  0.429  0.709  1.0
  Cu  Cu11  1  0.331  0.571  0.209  1.0
  Cu  Cu12  1  0.831  0.571  0.291  1.0
  Cu  Cu13  1  0.331  0.929  0.709  1.0
  Cu  Cu14  1  0.669  0.429  0.791  1.0
  Cu  Cu15  1  0.831  0.929  0.791  1.0
  Te  Te16  1  0.891  0.222  0.693  1.0
  Te  Te17  1  0.609  0.778  0.193  1.0
  Te  Te18  1  0.609  0.722  0.693  1.0
  Te  Te19  1  0.109  0.778  0.307  1.0
  Te  Te20  1  0.109  0.722  0.807  1.0
  Te  Te21  1  0.391  0.222  0.807  1.0
  Te  Te22  1  0.891  0.278  0.193  1.0
  Te  Te23  1  0.391  0.278  0.307  1.0
  S  S24  1  0.760  0.998  0.962  1.0
  S  S25  1  0.260  0.998  0.538  1.0
  S  S26  1  0.740  0.002  0.462  1.0
  S  S27  1  0.760  0.502  0.462  1.0
  S  S28  1  0.240  0.002  0.038  1.0
  S  S29  1  0.740  0.498  0.962  1.0
  S  S30  1  0.260  0.502  0.038  1.0
  S  S31  1  0.240  0.498  0.538  1.0
[/CIF]
.