The material described by SmPr2S4 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 Pr(1)S8 hexagonal bipyramids, edges with four equivalent Sm(1)S8 hexagonal bipyramids, and faces with eight equivalent Pr(1)S8 hexagonal bipyramids. Pr(1) is bonded to eight equivalent S(1) atoms to form distorted PrS8 hexagonal bipyramids that share corners with four equivalent Sm(1)S8 hexagonal bipyramids, corners with four equivalent Pr(1)S8 hexagonal bipyramids, edges with four equivalent Pr(1)S8 hexagonal bipyramids, faces with four equivalent Sm(1)S8 hexagonal bipyramids, and faces with four equivalent Pr(1)S8 hexagonal bipyramids. S(1) is bonded to two equivalent Sm(1) and four equivalent Pr(1) atoms to form a mixture of distorted corner, face, and edge-sharing SPr4Sm2 octahedra. The corner-sharing octahedral tilt angles range from 17-50°. is represented by the Crystallographic Information File (CIF) [CIF]
data_Pr2SmS4
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   7.440
_cell_length_b   7.440
_cell_length_c   7.440
_cell_angle_alpha   109.589
_cell_angle_beta   109.589
_cell_angle_gamma   109.235
_symmetry_Int_Tables_number   1
_cell_volume   316.983
_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
  Pr  Pr0  1  0.875  0.501  0.126  1.0
  Pr  Pr1  1  0.375  0.749  0.874  1.0
  Pr  Pr2  1  0.251  0.125  0.626  1.0
  Pr  Pr3  1  0.499  0.625  0.374  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  0.026  0.751  1.0
  S  S7  1  0.776  0.879  0.251  1.0
  S  S8  1  0.974  0.725  0.603  1.0
  S  S9  1  0.275  0.878  0.249  1.0
  S  S10  1  0.121  0.372  0.897  1.0
  S  S11  1  0.122  0.371  0.397  1.0
  S  S12  1  0.475  0.224  0.103  1.0
  S  S13  1  0.628  0.525  0.749  1.0
[/CIF]
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The material described by SmPr2S4 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 Pr(1)S8 hexagonal bipyramids, edges with four equivalent Sm(1)S8 hexagonal bipyramids, and faces with eight equivalent Pr(1)S8 hexagonal bipyramids. Pr(1) is bonded to eight equivalent S(1) atoms to form distorted PrS8 hexagonal bipyramids that share corners with four equivalent Sm(1)S8 hexagonal bipyramids, corners with four equivalent Pr(1)S8 hexagonal bipyramids, edges with four equivalent Pr(1)S8 hexagonal bipyramids, faces with four equivalent Sm(1)S8 hexagonal bipyramids, and faces with four equivalent Pr(1)S8 hexagonal bipyramids. S(1) is bonded to two equivalent Sm(1) and four equivalent Pr(1) atoms to form a mixture of distorted corner, face, and edge-sharing SPr4Sm2 octahedra. The corner-sharing octahedral tilt angles range from 17-50°. is represented by the Crystallographic Information File (CIF) [CIF]
data_Pr2SmS4
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   7.440
_cell_length_b   7.440
_cell_length_c   7.440
_cell_angle_alpha   109.589
_cell_angle_beta   109.589
_cell_angle_gamma   109.235
_symmetry_Int_Tables_number   1
_cell_volume   316.983
_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
  Pr  Pr0  1  0.875  0.501  0.126  1.0
  Pr  Pr1  1  0.375  0.749  0.874  1.0
  Pr  Pr2  1  0.251  0.125  0.626  1.0
  Pr  Pr3  1  0.499  0.625  0.374  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  0.026  0.751  1.0
  S  S7  1  0.776  0.879  0.251  1.0
  S  S8  1  0.974  0.725  0.603  1.0
  S  S9  1  0.275  0.878  0.249  1.0
  S  S10  1  0.121  0.372  0.897  1.0
  S  S11  1  0.122  0.371  0.397  1.0
  S  S12  1  0.475  0.224  0.103  1.0
  S  S13  1  0.628  0.525  0.749  1.0
[/CIF]
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