The compound described by U2TmS3O2 crystallizes in the tetragonal I4/mmm space group. U(1) is bonded in a 8-coordinate geometry to four equivalent S(1) and four equivalent O(1) atoms. Tm(1) is bonded to two equivalent S(1) and four equivalent S(2) atoms to form a mixture of edge and corner-sharing TmS6 octahedra. The corner-sharing octahedra are not tilted. There are two inequivalent S sites. In the first S site, S(1) is bonded in a 5-coordinate geometry to four equivalent U(1) and one Tm(1) atom. In the second S site, S(2) is bonded in a square co-planar geometry to four equivalent Tm(1) atoms. O(1) is bonded to four equivalent U(1) atoms to form a mixture of edge and corner-sharing OU4 tetrahedra. is represented by the Crystallographic Information File (CIF) [CIF]
data_TmU2S3O2
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   10.851
_cell_length_b   10.851
_cell_length_c   10.851
_cell_angle_alpha   159.879
_cell_angle_beta   159.879
_cell_angle_gamma   28.606
_symmetry_Int_Tables_number   1
_cell_volume   151.135
_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
  Tm  Tm0  1  0.000  0.000  0.000  1.0
  U  U1  1  0.314  0.314  0.000  1.0
  U  U2  1  0.686  0.686  0.000  1.0
  S  S3  1  0.128  0.128  0.000  1.0
  S  S4  1  0.872  0.872  0.000  1.0
  S  S5  1  0.500  0.500  0.000  1.0
  O  O6  1  0.750  0.250  0.500  1.0
  O  O7  1  0.250  0.750  0.500  1.0
[/CIF]
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The compound described by U2TmS3O2 crystallizes in the tetragonal I4/mmm space group. U(1) is bonded in a 8-coordinate geometry to four equivalent S(1) and four equivalent O(1) atoms. Tm(1) is bonded to two equivalent S(1) and four equivalent S(2) atoms to form a mixture of edge and corner-sharing TmS6 octahedra. The corner-sharing octahedra are not tilted. There are two inequivalent S sites. In the first S site, S(1) is bonded in a 5-coordinate geometry to four equivalent U(1) and one Tm(1) atom. In the second S site, S(2) is bonded in a square co-planar geometry to four equivalent Tm(1) atoms. O(1) is bonded to four equivalent U(1) atoms to form a mixture of edge and corner-sharing OU4 tetrahedra. is represented by the Crystallographic Information File (CIF) [CIF]
data_TmU2S3O2
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   10.851
_cell_length_b   10.851
_cell_length_c   10.851
_cell_angle_alpha   159.879
_cell_angle_beta   159.879
_cell_angle_gamma   28.606
_symmetry_Int_Tables_number   1
_cell_volume   151.135
_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
  Tm  Tm0  1  0.000  0.000  0.000  1.0
  U  U1  1  0.314  0.314  0.000  1.0
  U  U2  1  0.686  0.686  0.000  1.0
  S  S3  1  0.128  0.128  0.000  1.0
  S  S4  1  0.872  0.872  0.000  1.0
  S  S5  1  0.500  0.500  0.000  1.0
  O  O6  1  0.750  0.250  0.500  1.0
  O  O7  1  0.250  0.750  0.500  1.0
[/CIF]
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