The material described by UY2S3O2 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 Y sites. In the first Y site, Y(1) is bonded to one S(1), one S(2), and four equivalent S(3) atoms to form a mixture of corner and edge-sharing YS6 octahedra. The corner-sharing octahedral tilt angles are 2°. In the second Y site, Y(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 Y(1) atom. In the second S site, S(2) is bonded in a 5-coordinate geometry to one Y(1) and four equivalent Y(2) atoms. In the third S site, S(3) is bonded in a rectangular see-saw-like geometry to four equivalent Y(1) atoms. O(1) is bonded to two equivalent U(1) and two equivalent Y(2) atoms to form a mixture of corner and edge-sharing OY2U2 tetrahedra. is represented by the Crystallographic Information File (CIF) [CIF]
data_Y2US3O2
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   10.965
_cell_length_b   10.965
_cell_length_c   10.965
_cell_angle_alpha   159.901
_cell_angle_beta   159.901
_cell_angle_gamma   28.574
_symmetry_Int_Tables_number   1
_cell_volume   155.621
_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
  Y  Y0  1  0.499  0.499  0.000  1.0
  Y  Y1  1  0.813  0.813  0.000  1.0
  U  U2  1  0.192  0.192  0.000  1.0
  S  S3  1  0.629  0.629  0.000  1.0
  S  S4  1  0.370  0.370  0.000  1.0
  S  S5  1  0.001  0.001  0.000  1.0
  O  O6  1  0.748  0.248  0.500  1.0
  O  O7  1  0.248  0.748  0.500  1.0
[/CIF]
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The material described by UY2S3O2 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 Y sites. In the first Y site, Y(1) is bonded to one S(1), one S(2), and four equivalent S(3) atoms to form a mixture of corner and edge-sharing YS6 octahedra. The corner-sharing octahedral tilt angles are 2°. In the second Y site, Y(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 Y(1) atom. In the second S site, S(2) is bonded in a 5-coordinate geometry to one Y(1) and four equivalent Y(2) atoms. In the third S site, S(3) is bonded in a rectangular see-saw-like geometry to four equivalent Y(1) atoms. O(1) is bonded to two equivalent U(1) and two equivalent Y(2) atoms to form a mixture of corner and edge-sharing OY2U2 tetrahedra. is represented by the Crystallographic Information File (CIF) [CIF]
data_Y2US3O2
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   10.965
_cell_length_b   10.965
_cell_length_c   10.965
_cell_angle_alpha   159.901
_cell_angle_beta   159.901
_cell_angle_gamma   28.574
_symmetry_Int_Tables_number   1
_cell_volume   155.621
_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
  Y  Y0  1  0.499  0.499  0.000  1.0
  Y  Y1  1  0.813  0.813  0.000  1.0
  U  U2  1  0.192  0.192  0.000  1.0
  S  S3  1  0.629  0.629  0.000  1.0
  S  S4  1  0.370  0.370  0.000  1.0
  S  S5  1  0.001  0.001  0.000  1.0
  O  O6  1  0.748  0.248  0.500  1.0
  O  O7  1  0.248  0.748  0.500  1.0
[/CIF]
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