The crystal structure described by UEr2O2S3 crystallizes in the tetragonal I4mm space group. U(1) is bonded in a 4-coordinate geometry to four equivalent S(1) and four equivalent O(1) atoms. There are two inequivalent Er sites. In the first Er site, Er(1) is bonded to one S(1), one S(2), and four equivalent S(3) atoms to form a mixture of edge and corner-sharing ErS6 octahedra. The corner-sharing octahedral tilt angles are 5°. In the second Er site, Er(2) is bonded in a 8-coordinate geometry to four equivalent S(2) and four equivalent O(1) atoms. There are three inequivalent S sites. In the first S site, S(1) is bonded in a 5-coordinate geometry to four equivalent U(1) and one Er(1) atom. In the second S site, S(2) is bonded in a 5-coordinate geometry to one Er(1) and four equivalent Er(2) atoms. In the third S site, S(3) is bonded in a rectangular see-saw-like geometry to four equivalent Er(1) atoms. O(1) is bonded to two equivalent U(1) and two equivalent Er(2) atoms to form a mixture of edge and corner-sharing OEr2U2 tetrahedra. is represented by the Crystallographic Information File (CIF) [CIF]
data_Er2US3O2
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   10.889
_cell_length_b   10.889
_cell_length_c   10.889
_cell_angle_alpha   160.045
_cell_angle_beta   160.045
_cell_angle_gamma   28.367
_symmetry_Int_Tables_number   1
_cell_volume   150.317
_cell_formula_units_Z   1
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
  Er  Er0  1  0.497  0.497  0.000  1.0
  Er  Er1  1  0.812  0.812  0.000  1.0
  U  U2  1  0.190  0.190  0.000  1.0
  S  S3  1  0.628  0.628  0.000  1.0
  S  S4  1  0.371  0.371  0.000  1.0
  S  S5  1  0.003  0.003  0.000  1.0
  O  O6  1  0.749  0.249  0.500  1.0
  O  O7  1  0.249  0.749  0.500  1.0
[/CIF]
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The crystal structure described by UEr2O2S3 crystallizes in the tetragonal I4mm space group. U(1) is bonded in a 4-coordinate geometry to four equivalent S(1) and four equivalent O(1) atoms. There are two inequivalent Er sites. In the first Er site, Er(1) is bonded to one S(1), one S(2), and four equivalent S(3) atoms to form a mixture of edge and corner-sharing ErS6 octahedra. The corner-sharing octahedral tilt angles are 5°. In the second Er site, Er(2) is bonded in a 8-coordinate geometry to four equivalent S(2) and four equivalent O(1) atoms. There are three inequivalent S sites. In the first S site, S(1) is bonded in a 5-coordinate geometry to four equivalent U(1) and one Er(1) atom. In the second S site, S(2) is bonded in a 5-coordinate geometry to one Er(1) and four equivalent Er(2) atoms. In the third S site, S(3) is bonded in a rectangular see-saw-like geometry to four equivalent Er(1) atoms. O(1) is bonded to two equivalent U(1) and two equivalent Er(2) atoms to form a mixture of edge and corner-sharing OEr2U2 tetrahedra. is represented by the Crystallographic Information File (CIF) [CIF]
data_Er2US3O2
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   10.889
_cell_length_b   10.889
_cell_length_c   10.889
_cell_angle_alpha   160.045
_cell_angle_beta   160.045
_cell_angle_gamma   28.367
_symmetry_Int_Tables_number   1
_cell_volume   150.317
_cell_formula_units_Z   1
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
  Er  Er0  1  0.497  0.497  0.000  1.0
  Er  Er1  1  0.812  0.812  0.000  1.0
  U  U2  1  0.190  0.190  0.000  1.0
  S  S3  1  0.628  0.628  0.000  1.0
  S  S4  1  0.371  0.371  0.000  1.0
  S  S5  1  0.003  0.003  0.000  1.0
  O  O6  1  0.749  0.249  0.500  1.0
  O  O7  1  0.249  0.749  0.500  1.0
[/CIF]
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