The material described by Ce(SmS2)2 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 four equivalent Sm(1)S8 hexagonal bipyramids, corners with four equivalent Ce(1)S8 hexagonal bipyramids, edges with four equivalent Sm(1)S8 hexagonal bipyramids, faces with four equivalent Sm(1)S8 hexagonal bipyramids, and faces with four 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 eight equivalent Sm(1)S8 hexagonal bipyramids, edges with four equivalent Ce(1)S8 hexagonal bipyramids, and faces with eight equivalent Sm(1)S8 hexagonal bipyramids. S(1) is bonded to four equivalent Sm(1) and two equivalent Ce(1) atoms to form a mixture of distorted corner, face, and edge-sharing SCe2Sm4 octahedra. The corner-sharing octahedral tilt angles range from 16-50°. is represented by the CIF card [CIF]
data_Ce(SmS2)2
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   7.387
_cell_length_b   7.387
_cell_length_c   7.387
_cell_angle_alpha   109.548
_cell_angle_beta   109.548
_cell_angle_gamma   109.319
_symmetry_Int_Tables_number   1
_cell_volume   310.318
_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  0.750  0.250  0.500  1.0
  Ce  Ce1  1  0.000  0.000  0.000  1.0
  Sm  Sm2  1  0.497  0.125  0.872  1.0
  Sm  Sm3  1  0.875  0.747  0.372  1.0
  Sm  Sm4  1  0.253  0.625  0.128  1.0
  Sm  Sm5  1  0.375  0.503  0.628  1.0
  S  S6  1  0.977  0.377  0.250  1.0
  S  S7  1  0.477  0.377  0.250  1.0
  S  S8  1  0.273  0.023  0.400  1.0
  S  S9  1  0.623  0.873  0.600  1.0
  S  S10  1  0.127  0.227  0.750  1.0
  S  S11  1  0.623  0.873  0.100  1.0
  S  S12  1  0.773  0.523  0.900  1.0
  S  S13  1  0.127  0.727  0.750  1.0
[/CIF]
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The material described by Ce(SmS2)2 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 four equivalent Sm(1)S8 hexagonal bipyramids, corners with four equivalent Ce(1)S8 hexagonal bipyramids, edges with four equivalent Sm(1)S8 hexagonal bipyramids, faces with four equivalent Sm(1)S8 hexagonal bipyramids, and faces with four 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 eight equivalent Sm(1)S8 hexagonal bipyramids, edges with four equivalent Ce(1)S8 hexagonal bipyramids, and faces with eight equivalent Sm(1)S8 hexagonal bipyramids. S(1) is bonded to four equivalent Sm(1) and two equivalent Ce(1) atoms to form a mixture of distorted corner, face, and edge-sharing SCe2Sm4 octahedra. The corner-sharing octahedral tilt angles range from 16-50°. is represented by the CIF card [CIF]
data_Ce(SmS2)2
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   7.387
_cell_length_b   7.387
_cell_length_c   7.387
_cell_angle_alpha   109.548
_cell_angle_beta   109.548
_cell_angle_gamma   109.319
_symmetry_Int_Tables_number   1
_cell_volume   310.318
_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  0.750  0.250  0.500  1.0
  Ce  Ce1  1  0.000  0.000  0.000  1.0
  Sm  Sm2  1  0.497  0.125  0.872  1.0
  Sm  Sm3  1  0.875  0.747  0.372  1.0
  Sm  Sm4  1  0.253  0.625  0.128  1.0
  Sm  Sm5  1  0.375  0.503  0.628  1.0
  S  S6  1  0.977  0.377  0.250  1.0
  S  S7  1  0.477  0.377  0.250  1.0
  S  S8  1  0.273  0.023  0.400  1.0
  S  S9  1  0.623  0.873  0.600  1.0
  S  S10  1  0.127  0.227  0.750  1.0
  S  S11  1  0.623  0.873  0.100  1.0
  S  S12  1  0.773  0.523  0.900  1.0
  S  S13  1  0.127  0.727  0.750  1.0
[/CIF]
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