The crystal structure described by Sr(ErS2)2 crystallizes in the tetragonal I-42d space group. Sr(1) is bonded in a 8-coordinate geometry to eight equivalent S(1) atoms. Er(1) is bonded in a 8-coordinate geometry to eight equivalent S(1) atoms. S(1) is bonded to two equivalent Sr(1) and four equivalent Er(1) atoms to form a mixture of distorted corner, edge, and face-sharing SSr2Er4 octahedra. The corner-sharing octahedral tilt angles range from 16-49°. is represented by the CIF file [CIF]
data_Sr(ErS2)2
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   7.351
_cell_length_b   7.351
_cell_length_c   7.351
_cell_angle_alpha   109.423
_cell_angle_beta   109.423
_cell_angle_gamma   109.567
_symmetry_Int_Tables_number   1
_cell_volume   305.774
_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  0.000  1.0
  Er  Er2  1  0.007  0.375  0.132  1.0
  Er  Er3  1  0.243  0.875  0.868  1.0
  Er  Er4  1  0.625  0.757  0.632  1.0
  Er  Er5  1  0.125  0.993  0.368  1.0
  S  S6  1  0.505  0.106  0.745  1.0
  S  S7  1  0.889  0.644  0.900  1.0
  S  S8  1  0.356  0.255  0.245  1.0
  S  S9  1  0.240  0.495  0.600  1.0
  S  S10  1  0.361  0.760  0.255  1.0
  S  S11  1  0.894  0.639  0.400  1.0
  S  S12  1  0.745  0.990  0.100  1.0
  S  S13  1  0.010  0.111  0.755  1.0
[/CIF]
.
The crystal structure described by Sr(ErS2)2 crystallizes in the tetragonal I-42d space group. Sr(1) is bonded in a 8-coordinate geometry to eight equivalent S(1) atoms. Er(1) is bonded in a 8-coordinate geometry to eight equivalent S(1) atoms. S(1) is bonded to two equivalent Sr(1) and four equivalent Er(1) atoms to form a mixture of distorted corner, edge, and face-sharing SSr2Er4 octahedra. The corner-sharing octahedral tilt angles range from 16-49°. is represented by the CIF file [CIF]
data_Sr(ErS2)2
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   7.351
_cell_length_b   7.351
_cell_length_c   7.351
_cell_angle_alpha   109.423
_cell_angle_beta   109.423
_cell_angle_gamma   109.567
_symmetry_Int_Tables_number   1
_cell_volume   305.774
_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  0.000  1.0
  Er  Er2  1  0.007  0.375  0.132  1.0
  Er  Er3  1  0.243  0.875  0.868  1.0
  Er  Er4  1  0.625  0.757  0.632  1.0
  Er  Er5  1  0.125  0.993  0.368  1.0
  S  S6  1  0.505  0.106  0.745  1.0
  S  S7  1  0.889  0.644  0.900  1.0
  S  S8  1  0.356  0.255  0.245  1.0
  S  S9  1  0.240  0.495  0.600  1.0
  S  S10  1  0.361  0.760  0.255  1.0
  S  S11  1  0.894  0.639  0.400  1.0
  S  S12  1  0.745  0.990  0.100  1.0
  S  S13  1  0.010  0.111  0.755  1.0
[/CIF]
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