The material structure described by Sr(YbS2)2 crystallizes in the tetragonal I-42d space group. Sr(1) is bonded in a 8-coordinate geometry to eight equivalent S(1) atoms. Yb(1) is bonded to eight equivalent S(1) atoms to form a mixture of distorted corner, face, and edge-sharing YbS8 hexagonal bipyramids. S(1) is bonded to two equivalent Sr(1) and four equivalent Yb(1) atoms to form a mixture of distorted corner, face, and edge-sharing SSr2Yb4 octahedra. The corner-sharing octahedral tilt angles range from 11-54°. is represented by the CIF file [CIF]
data_Sr(YbS2)2
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   7.434
_cell_length_b   7.434
_cell_length_c   7.434
_cell_angle_alpha   110.940
_cell_angle_beta   110.940
_cell_angle_gamma   106.572
_symmetry_Int_Tables_number   1
_cell_volume   315.665
_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  0.000  0.000  0.000  1.0
  Yb  Yb2  1  0.875  0.499  0.124  1.0
  Yb  Yb3  1  0.249  0.125  0.624  1.0
  Yb  Yb4  1  0.375  0.751  0.876  1.0
  Yb  Yb5  1  0.501  0.625  0.376  1.0
  S  S6  1  0.600  0.031  0.757  1.0
  S  S7  1  0.593  0.524  0.743  1.0
  S  S8  1  0.157  0.400  0.431  1.0
  S  S9  1  0.781  0.850  0.257  1.0
  S  S10  1  0.150  0.407  0.931  1.0
  S  S11  1  0.476  0.219  0.069  1.0
  S  S12  1  0.969  0.726  0.569  1.0
  S  S13  1  0.274  0.843  0.243  1.0
[/CIF]
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The material structure described by Sr(YbS2)2 crystallizes in the tetragonal I-42d space group. Sr(1) is bonded in a 8-coordinate geometry to eight equivalent S(1) atoms. Yb(1) is bonded to eight equivalent S(1) atoms to form a mixture of distorted corner, face, and edge-sharing YbS8 hexagonal bipyramids. S(1) is bonded to two equivalent Sr(1) and four equivalent Yb(1) atoms to form a mixture of distorted corner, face, and edge-sharing SSr2Yb4 octahedra. The corner-sharing octahedral tilt angles range from 11-54°. is represented by the CIF file [CIF]
data_Sr(YbS2)2
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   7.434
_cell_length_b   7.434
_cell_length_c   7.434
_cell_angle_alpha   110.940
_cell_angle_beta   110.940
_cell_angle_gamma   106.572
_symmetry_Int_Tables_number   1
_cell_volume   315.665
_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  0.000  0.000  0.000  1.0
  Yb  Yb2  1  0.875  0.499  0.124  1.0
  Yb  Yb3  1  0.249  0.125  0.624  1.0
  Yb  Yb4  1  0.375  0.751  0.876  1.0
  Yb  Yb5  1  0.501  0.625  0.376  1.0
  S  S6  1  0.600  0.031  0.757  1.0
  S  S7  1  0.593  0.524  0.743  1.0
  S  S8  1  0.157  0.400  0.431  1.0
  S  S9  1  0.781  0.850  0.257  1.0
  S  S10  1  0.150  0.407  0.931  1.0
  S  S11  1  0.476  0.219  0.069  1.0
  S  S12  1  0.969  0.726  0.569  1.0
  S  S13  1  0.274  0.843  0.243  1.0
[/CIF]
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