The material described by Yb(SmS2)2 crystallizes in the tetragonal I-42d space group. Yb(1) is bonded to eight equivalent S(1) atoms to form distorted YbS8 hexagonal bipyramids that share corners with eight equivalent Sm(1)S8 hexagonal bipyramids, edges with four equivalent Yb(1)S8 hexagonal bipyramids, and faces with eight equivalent Sm(1)S8 hexagonal bipyramids. Sm(1) is bonded to eight equivalent S(1) atoms to form distorted SmS8 hexagonal bipyramids that share corners with four equivalent Yb(1)S8 hexagonal bipyramids, corners with four equivalent Sm(1)S8 hexagonal bipyramids, edges with four equivalent Sm(1)S8 hexagonal bipyramids, faces with four equivalent Yb(1)S8 hexagonal bipyramids, and faces with four equivalent Sm(1)S8 hexagonal bipyramids. S(1) is bonded to two equivalent Yb(1) and four equivalent Sm(1) atoms to form a mixture of distorted edge, face, and corner-sharing SYb2Sm4 octahedra. The corner-sharing octahedral tilt angles range from 18-50°. is represented by the Crystallographic Information File (CIF) [CIF]
data_Yb(SmS2)2
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   7.313
_cell_length_b   7.313
_cell_length_c   7.313
_cell_angle_alpha   109.542
_cell_angle_beta   109.331
_cell_angle_gamma   109.542
_symmetry_Int_Tables_number   1
_cell_volume   301.050
_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
  Yb  Yb0  1  0.125  0.750  0.875  1.0
  Yb  Yb1  1  0.375  0.250  0.625  1.0
  Sm  Sm2  1  0.250  0.629  0.379  1.0
  Sm  Sm3  1  0.621  0.371  0.250  1.0
  Sm  Sm4  1  0.750  0.871  0.121  1.0
  Sm  Sm5  1  0.879  0.129  0.750  1.0
  S  S6  1  1.000  0.857  0.498  1.0
  S  S7  1  0.998  0.357  0.500  1.0
  S  S8  1  0.500  0.998  0.857  1.0
  S  S9  1  0.143  0.143  0.141  1.0
  S  S10  1  0.357  0.498  0.000  1.0
  S  S11  1  0.641  0.643  0.643  1.0
  S  S12  1  0.502  0.002  0.359  1.0
  S  S13  1  0.859  0.502  0.002  1.0
[/CIF]
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The material described by Yb(SmS2)2 crystallizes in the tetragonal I-42d space group. Yb(1) is bonded to eight equivalent S(1) atoms to form distorted YbS8 hexagonal bipyramids that share corners with eight equivalent Sm(1)S8 hexagonal bipyramids, edges with four equivalent Yb(1)S8 hexagonal bipyramids, and faces with eight equivalent Sm(1)S8 hexagonal bipyramids. Sm(1) is bonded to eight equivalent S(1) atoms to form distorted SmS8 hexagonal bipyramids that share corners with four equivalent Yb(1)S8 hexagonal bipyramids, corners with four equivalent Sm(1)S8 hexagonal bipyramids, edges with four equivalent Sm(1)S8 hexagonal bipyramids, faces with four equivalent Yb(1)S8 hexagonal bipyramids, and faces with four equivalent Sm(1)S8 hexagonal bipyramids. S(1) is bonded to two equivalent Yb(1) and four equivalent Sm(1) atoms to form a mixture of distorted edge, face, and corner-sharing SYb2Sm4 octahedra. The corner-sharing octahedral tilt angles range from 18-50°. is represented by the Crystallographic Information File (CIF) [CIF]
data_Yb(SmS2)2
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   7.313
_cell_length_b   7.313
_cell_length_c   7.313
_cell_angle_alpha   109.542
_cell_angle_beta   109.331
_cell_angle_gamma   109.542
_symmetry_Int_Tables_number   1
_cell_volume   301.050
_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
  Yb  Yb0  1  0.125  0.750  0.875  1.0
  Yb  Yb1  1  0.375  0.250  0.625  1.0
  Sm  Sm2  1  0.250  0.629  0.379  1.0
  Sm  Sm3  1  0.621  0.371  0.250  1.0
  Sm  Sm4  1  0.750  0.871  0.121  1.0
  Sm  Sm5  1  0.879  0.129  0.750  1.0
  S  S6  1  1.000  0.857  0.498  1.0
  S  S7  1  0.998  0.357  0.500  1.0
  S  S8  1  0.500  0.998  0.857  1.0
  S  S9  1  0.143  0.143  0.141  1.0
  S  S10  1  0.357  0.498  0.000  1.0
  S  S11  1  0.641  0.643  0.643  1.0
  S  S12  1  0.502  0.002  0.359  1.0
  S  S13  1  0.859  0.502  0.002  1.0
[/CIF]
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