The compound described by Sr(SmS2)2 crystallizes in the tetragonal I-42d space group. Sr(1) is bonded in a 8-coordinate geometry to eight equivalent S(1) atoms. 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 two equivalent Sr(1) and four equivalent Sm(1) atoms to form a mixture of distorted edge, corner, and face-sharing SSr2Sm4 octahedra. The corner-sharing octahedral tilt angles range from 16-50°. is represented by the CIF file [CIF]
data_Sr(SmS2)2
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   7.464
_cell_length_b   7.464
_cell_length_c   7.464
_cell_angle_alpha   109.390
_cell_angle_beta   109.390
_cell_angle_gamma   109.634
_symmetry_Int_Tables_number   1
_cell_volume   320.104
_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
  Sr  Sr0  1  0.750  0.250  0.500  1.0
  Sr  Sr1  1  0.500  0.500  1.000  1.0
  Sm  Sm2  1  0.999  0.375  0.124  1.0
  Sm  Sm3  1  0.625  0.749  0.624  1.0
  Sm  Sm4  1  0.251  0.875  0.876  1.0
  Sm  Sm5  1  0.125  0.001  0.376  1.0
  S  S6  1  0.513  0.112  0.748  1.0
  S  S7  1  0.015  0.114  0.752  1.0
  S  S8  1  0.362  0.263  0.248  1.0
  S  S9  1  0.235  0.487  0.599  1.0
  S  S10  1  0.886  0.638  0.901  1.0
  S  S11  1  0.364  0.765  0.252  1.0
  S  S12  1  0.888  0.636  0.401  1.0
  S  S13  1  0.737  0.985  0.099  1.0
[/CIF]
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The compound described by Sr(SmS2)2 crystallizes in the tetragonal I-42d space group. Sr(1) is bonded in a 8-coordinate geometry to eight equivalent S(1) atoms. 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 two equivalent Sr(1) and four equivalent Sm(1) atoms to form a mixture of distorted edge, corner, and face-sharing SSr2Sm4 octahedra. The corner-sharing octahedral tilt angles range from 16-50°. is represented by the CIF file [CIF]
data_Sr(SmS2)2
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   7.464
_cell_length_b   7.464
_cell_length_c   7.464
_cell_angle_alpha   109.390
_cell_angle_beta   109.390
_cell_angle_gamma   109.634
_symmetry_Int_Tables_number   1
_cell_volume   320.104
_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
  Sr  Sr0  1  0.750  0.250  0.500  1.0
  Sr  Sr1  1  0.500  0.500  1.000  1.0
  Sm  Sm2  1  0.999  0.375  0.124  1.0
  Sm  Sm3  1  0.625  0.749  0.624  1.0
  Sm  Sm4  1  0.251  0.875  0.876  1.0
  Sm  Sm5  1  0.125  0.001  0.376  1.0
  S  S6  1  0.513  0.112  0.748  1.0
  S  S7  1  0.015  0.114  0.752  1.0
  S  S8  1  0.362  0.263  0.248  1.0
  S  S9  1  0.235  0.487  0.599  1.0
  S  S10  1  0.886  0.638  0.901  1.0
  S  S11  1  0.364  0.765  0.252  1.0
  S  S12  1  0.888  0.636  0.401  1.0
  S  S13  1  0.737  0.985  0.099  1.0
[/CIF]
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