The structure described by SmCe2S4 crystallizes in the tetragonal I-42d space group. Sm(1) is bonded to eight equivalent S(1) atoms to form distorted SmS8 hexagonal bipyramids that share corners with eight equivalent Ce(1)S8 hexagonal bipyramids, edges with four equivalent Sm(1)S8 hexagonal bipyramids, and faces with eight equivalent Ce(1)S8 hexagonal bipyramids. Ce(1) is bonded to eight equivalent S(1) atoms to form distorted CeS8 hexagonal bipyramids that share corners with four equivalent Sm(1)S8 hexagonal bipyramids, corners with four equivalent Ce(1)S8 hexagonal bipyramids, edges with four equivalent Ce(1)S8 hexagonal bipyramids, faces with four equivalent Sm(1)S8 hexagonal bipyramids, and faces with four equivalent Ce(1)S8 hexagonal bipyramids. S(1) is bonded to two equivalent Sm(1) and four equivalent Ce(1) atoms to form a mixture of distorted edge, face, and corner-sharing SCe4Sm2 octahedra. The corner-sharing octahedral tilt angles range from 16-50°. is represented by the CIF file [CIF]
data_Ce2SmS4
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   7.388
_cell_length_b   7.388
_cell_length_c   7.388
_cell_angle_alpha   109.697
_cell_angle_beta   109.697
_cell_angle_gamma   109.020
_symmetry_Int_Tables_number   1
_cell_volume   310.388
_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
  Ce  Ce0  1  0.875  0.499  0.124  1.0
  Ce  Ce1  1  0.249  0.125  0.624  1.0
  Ce  Ce2  1  0.375  0.751  0.876  1.0
  Ce  Ce3  1  0.501  0.625  0.376  1.0
  Sm  Sm4  1  0.750  0.250  0.500  1.0
  Sm  Sm5  1  0.000  0.000  0.000  1.0
  S  S6  1  0.629  0.028  0.750  1.0
  S  S7  1  0.628  0.527  0.750  1.0
  S  S8  1  0.778  0.879  0.250  1.0
  S  S9  1  0.972  0.723  0.601  1.0
  S  S10  1  0.277  0.878  0.250  1.0
  S  S11  1  0.121  0.372  0.899  1.0
  S  S12  1  0.122  0.371  0.399  1.0
  S  S13  1  0.473  0.222  0.101  1.0
[/CIF]
.
The structure described by SmCe2S4 crystallizes in the tetragonal I-42d space group. Sm(1) is bonded to eight equivalent S(1) atoms to form distorted SmS8 hexagonal bipyramids that share corners with eight equivalent Ce(1)S8 hexagonal bipyramids, edges with four equivalent Sm(1)S8 hexagonal bipyramids, and faces with eight equivalent Ce(1)S8 hexagonal bipyramids. Ce(1) is bonded to eight equivalent S(1) atoms to form distorted CeS8 hexagonal bipyramids that share corners with four equivalent Sm(1)S8 hexagonal bipyramids, corners with four equivalent Ce(1)S8 hexagonal bipyramids, edges with four equivalent Ce(1)S8 hexagonal bipyramids, faces with four equivalent Sm(1)S8 hexagonal bipyramids, and faces with four equivalent Ce(1)S8 hexagonal bipyramids. S(1) is bonded to two equivalent Sm(1) and four equivalent Ce(1) atoms to form a mixture of distorted edge, face, and corner-sharing SCe4Sm2 octahedra. The corner-sharing octahedral tilt angles range from 16-50°. is represented by the CIF file [CIF]
data_Ce2SmS4
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   7.388
_cell_length_b   7.388
_cell_length_c   7.388
_cell_angle_alpha   109.697
_cell_angle_beta   109.697
_cell_angle_gamma   109.020
_symmetry_Int_Tables_number   1
_cell_volume   310.388
_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
  Ce  Ce0  1  0.875  0.499  0.124  1.0
  Ce  Ce1  1  0.249  0.125  0.624  1.0
  Ce  Ce2  1  0.375  0.751  0.876  1.0
  Ce  Ce3  1  0.501  0.625  0.376  1.0
  Sm  Sm4  1  0.750  0.250  0.500  1.0
  Sm  Sm5  1  0.000  0.000  0.000  1.0
  S  S6  1  0.629  0.028  0.750  1.0
  S  S7  1  0.628  0.527  0.750  1.0
  S  S8  1  0.778  0.879  0.250  1.0
  S  S9  1  0.972  0.723  0.601  1.0
  S  S10  1  0.277  0.878  0.250  1.0
  S  S11  1  0.121  0.372  0.899  1.0
  S  S12  1  0.122  0.371  0.399  1.0
  S  S13  1  0.473  0.222  0.101  1.0
[/CIF]
.