The material described by Sr(YbS2)2 crystallizes in the orthorhombic Pnma space group. Sr(1) is bonded in a 8-coordinate geometry to two equivalent S(1), two equivalent S(2), two equivalent S(3), and two equivalent S(4) atoms. There are two inequivalent Yb sites. In the first Yb site, Yb(1) is bonded to one S(3), two equivalent S(1), and three equivalent S(4) atoms to form a mixture of distorted corner and edge-sharing YbS6 octahedra. The corner-sharing octahedral tilt angles range from 53-70°. In the second Yb site, Yb(2) is bonded to one S(1), two equivalent S(3), and three equivalent S(2) atoms to form a mixture of distorted corner and edge-sharing YbS6 octahedra. The corner-sharing octahedral tilt angles range from 53-70°. There are four inequivalent S sites. In the first S site, S(1) is bonded to two equivalent Sr(1), one Yb(2), and two equivalent Yb(1) atoms to form distorted edge-sharing SSr2Yb3 square pyramids. In the second S site, S(2) is bonded in a 6-coordinate geometry to two equivalent Sr(1), three equivalent Yb(2), and one S(4) atom. In the third S site, S(3) is bonded to two equivalent Sr(1), one Yb(1), and two equivalent Yb(2) atoms to form a mixture of distorted corner and edge-sharing SSr2Yb3 trigonal bipyramids. In the fourth S site, S(4) is bonded in a 6-coordinate geometry to two equivalent Sr(1), three equivalent Yb(1), and one S(2) atom. is represented by the CIF file [CIF]
data_Sr(YbS2)2
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   4.313
_cell_length_b   11.081
_cell_length_c   14.631
_cell_angle_alpha   90.000
_cell_angle_beta   90.000
_cell_angle_gamma   90.000
_symmetry_Int_Tables_number   1
_cell_volume   699.272
_cell_formula_units_Z   4
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  0.250  0.775  0.317  1.0
  Sr  Sr1  1  0.250  0.275  0.183  1.0
  Sr  Sr2  1  0.750  0.225  0.683  1.0
  Sr  Sr3  1  0.750  0.725  0.817  1.0
  Yb  Yb4  1  0.250  0.449  0.386  1.0
  Yb  Yb5  1  0.250  0.949  0.114  1.0
  Yb  Yb6  1  0.750  0.551  0.614  1.0
  Yb  Yb7  1  0.750  0.051  0.886  1.0
  Yb  Yb8  1  0.250  0.393  0.892  1.0
  Yb  Yb9  1  0.250  0.893  0.608  1.0
  Yb  Yb10  1  0.750  0.607  0.108  1.0
  Yb  Yb11  1  0.750  0.107  0.392  1.0
  S  S12  1  0.250  0.173  0.824  1.0
  S  S13  1  0.250  0.673  0.676  1.0
  S  S14  1  0.750  0.827  0.176  1.0
  S  S15  1  0.750  0.327  0.324  1.0
  S  S16  1  0.250  0.188  0.524  1.0
  S  S17  1  0.250  0.688  0.976  1.0
  S  S18  1  0.750  0.812  0.476  1.0
  S  S19  1  0.750  0.312  0.024  1.0
  S  S20  1  0.250  0.041  0.293  1.0
  S  S21  1  0.250  0.541  0.207  1.0
  S  S22  1  0.750  0.959  0.707  1.0
  S  S23  1  0.750  0.459  0.793  1.0
  S  S24  1  0.250  0.369  0.574  1.0
  S  S25  1  0.250  0.869  0.926  1.0
  S  S26  1  0.750  0.631  0.426  1.0
  S  S27  1  0.750  0.131  0.074  1.0
[/CIF]
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The material described by Sr(YbS2)2 crystallizes in the orthorhombic Pnma space group. Sr(1) is bonded in a 8-coordinate geometry to two equivalent S(1), two equivalent S(2), two equivalent S(3), and two equivalent S(4) atoms. There are two inequivalent Yb sites. In the first Yb site, Yb(1) is bonded to one S(3), two equivalent S(1), and three equivalent S(4) atoms to form a mixture of distorted corner and edge-sharing YbS6 octahedra. The corner-sharing octahedral tilt angles range from 53-70°. In the second Yb site, Yb(2) is bonded to one S(1), two equivalent S(3), and three equivalent S(2) atoms to form a mixture of distorted corner and edge-sharing YbS6 octahedra. The corner-sharing octahedral tilt angles range from 53-70°. There are four inequivalent S sites. In the first S site, S(1) is bonded to two equivalent Sr(1), one Yb(2), and two equivalent Yb(1) atoms to form distorted edge-sharing SSr2Yb3 square pyramids. In the second S site, S(2) is bonded in a 6-coordinate geometry to two equivalent Sr(1), three equivalent Yb(2), and one S(4) atom. In the third S site, S(3) is bonded to two equivalent Sr(1), one Yb(1), and two equivalent Yb(2) atoms to form a mixture of distorted corner and edge-sharing SSr2Yb3 trigonal bipyramids. In the fourth S site, S(4) is bonded in a 6-coordinate geometry to two equivalent Sr(1), three equivalent Yb(1), and one S(2) atom. is represented by the CIF file [CIF]
data_Sr(YbS2)2
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   4.313
_cell_length_b   11.081
_cell_length_c   14.631
_cell_angle_alpha   90.000
_cell_angle_beta   90.000
_cell_angle_gamma   90.000
_symmetry_Int_Tables_number   1
_cell_volume   699.272
_cell_formula_units_Z   4
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  0.250  0.775  0.317  1.0
  Sr  Sr1  1  0.250  0.275  0.183  1.0
  Sr  Sr2  1  0.750  0.225  0.683  1.0
  Sr  Sr3  1  0.750  0.725  0.817  1.0
  Yb  Yb4  1  0.250  0.449  0.386  1.0
  Yb  Yb5  1  0.250  0.949  0.114  1.0
  Yb  Yb6  1  0.750  0.551  0.614  1.0
  Yb  Yb7  1  0.750  0.051  0.886  1.0
  Yb  Yb8  1  0.250  0.393  0.892  1.0
  Yb  Yb9  1  0.250  0.893  0.608  1.0
  Yb  Yb10  1  0.750  0.607  0.108  1.0
  Yb  Yb11  1  0.750  0.107  0.392  1.0
  S  S12  1  0.250  0.173  0.824  1.0
  S  S13  1  0.250  0.673  0.676  1.0
  S  S14  1  0.750  0.827  0.176  1.0
  S  S15  1  0.750  0.327  0.324  1.0
  S  S16  1  0.250  0.188  0.524  1.0
  S  S17  1  0.250  0.688  0.976  1.0
  S  S18  1  0.750  0.812  0.476  1.0
  S  S19  1  0.750  0.312  0.024  1.0
  S  S20  1  0.250  0.041  0.293  1.0
  S  S21  1  0.250  0.541  0.207  1.0
  S  S22  1  0.750  0.959  0.707  1.0
  S  S23  1  0.750  0.459  0.793  1.0
  S  S24  1  0.250  0.369  0.574  1.0
  S  S25  1  0.250  0.869  0.926  1.0
  S  S26  1  0.750  0.631  0.426  1.0
  S  S27  1  0.750  0.131  0.074  1.0
[/CIF]
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