The crystal structure described by Sm3S4 crystallizes in the cubic I-43d space group. Sm(1) is bonded to eight equivalent S(1) atoms to form a mixture of distorted edge, corner, and face-sharing SmS8 hexagonal bipyramids. S(1) is bonded to six equivalent Sm(1) atoms to form a mixture of distorted edge, corner, and face-sharing SSm6 octahedra. The corner-sharing octahedral tilt angles range from 18-49°. is represented by the CIF file [CIF]
data_Sm3S4
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   7.335
_cell_length_b   7.335
_cell_length_c   7.335
_cell_angle_alpha   109.471
_cell_angle_beta   109.471
_cell_angle_gamma   109.471
_symmetry_Int_Tables_number   1
_cell_volume   303.807
_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  0.750  0.875  0.125  1.0
  Sm  Sm1  1  0.625  0.375  0.250  1.0
  Sm  Sm2  1  0.875  0.125  0.750  1.0
  Sm  Sm3  1  0.125  0.750  0.875  1.0
  Sm  Sm4  1  0.375  0.250  0.625  1.0
  Sm  Sm5  1  0.250  0.625  0.375  1.0
  S  S6  1  0.646  0.646  0.646  1.0
  S  S7  1  0.354  0.500  0.000  1.0
  S  S8  1  0.500  0.000  0.354  1.0
  S  S9  1  0.000  0.354  0.500  1.0
  S  S10  1  0.500  0.000  0.854  1.0
  S  S11  1  0.000  0.854  0.500  1.0
  S  S12  1  0.146  0.146  0.146  1.0
  S  S13  1  0.854  0.500  0.000  1.0
[/CIF]
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The crystal structure described by Sm3S4 crystallizes in the cubic I-43d space group. Sm(1) is bonded to eight equivalent S(1) atoms to form a mixture of distorted edge, corner, and face-sharing SmS8 hexagonal bipyramids. S(1) is bonded to six equivalent Sm(1) atoms to form a mixture of distorted edge, corner, and face-sharing SSm6 octahedra. The corner-sharing octahedral tilt angles range from 18-49°. is represented by the CIF file [CIF]
data_Sm3S4
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   7.335
_cell_length_b   7.335
_cell_length_c   7.335
_cell_angle_alpha   109.471
_cell_angle_beta   109.471
_cell_angle_gamma   109.471
_symmetry_Int_Tables_number   1
_cell_volume   303.807
_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  0.750  0.875  0.125  1.0
  Sm  Sm1  1  0.625  0.375  0.250  1.0
  Sm  Sm2  1  0.875  0.125  0.750  1.0
  Sm  Sm3  1  0.125  0.750  0.875  1.0
  Sm  Sm4  1  0.375  0.250  0.625  1.0
  Sm  Sm5  1  0.250  0.625  0.375  1.0
  S  S6  1  0.646  0.646  0.646  1.0
  S  S7  1  0.354  0.500  0.000  1.0
  S  S8  1  0.500  0.000  0.354  1.0
  S  S9  1  0.000  0.354  0.500  1.0
  S  S10  1  0.500  0.000  0.854  1.0
  S  S11  1  0.000  0.854  0.500  1.0
  S  S12  1  0.146  0.146  0.146  1.0
  S  S13  1  0.854  0.500  0.000  1.0
[/CIF]
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