The crystal structure described by UTeS crystallizes in the orthorhombic Pnma space group. U(1) is bonded in a 9-coordinate geometry to five equivalent Te(1) and four equivalent S(1) atoms. Te(1) is bonded to five equivalent U(1) atoms to form distorted TeU5 trigonal bipyramids that share corners with eight equivalent S(1)U4 tetrahedra, corners with eight equivalent Te(1)U5 trigonal bipyramids, edges with six equivalent S(1)U4 tetrahedra, and edges with six equivalent Te(1)U5 trigonal bipyramids. S(1) is bonded to four equivalent U(1) atoms to form SU4 tetrahedra that share corners with eight equivalent S(1)U4 tetrahedra, corners with eight equivalent Te(1)U5 trigonal bipyramids, edges with two equivalent S(1)U4 tetrahedra, and edges with six equivalent Te(1)U5 trigonal bipyramids. is represented by the CIF card [CIF]
data_UTeS
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   4.318
_cell_length_b   7.729
_cell_length_c   8.949
_cell_angle_alpha   90.000
_cell_angle_beta   90.000
_cell_angle_gamma   90.000
_symmetry_Int_Tables_number   1
_cell_volume   298.645
_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
  U  U0  1  0.250  0.210  0.879  1.0
  U  U1  1  0.750  0.790  0.121  1.0
  U  U2  1  0.250  0.710  0.621  1.0
  U  U3  1  0.750  0.290  0.379  1.0
  Te  Te4  1  0.250  0.973  0.337  1.0
  Te  Te5  1  0.750  0.527  0.837  1.0
  Te  Te6  1  0.250  0.473  0.163  1.0
  Te  Te7  1  0.750  0.027  0.663  1.0
  S  S8  1  0.750  0.147  0.068  1.0
  S  S9  1  0.250  0.353  0.568  1.0
  S  S10  1  0.750  0.647  0.432  1.0
  S  S11  1  0.250  0.853  0.932  1.0
[/CIF]
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The crystal structure described by UTeS crystallizes in the orthorhombic Pnma space group. U(1) is bonded in a 9-coordinate geometry to five equivalent Te(1) and four equivalent S(1) atoms. Te(1) is bonded to five equivalent U(1) atoms to form distorted TeU5 trigonal bipyramids that share corners with eight equivalent S(1)U4 tetrahedra, corners with eight equivalent Te(1)U5 trigonal bipyramids, edges with six equivalent S(1)U4 tetrahedra, and edges with six equivalent Te(1)U5 trigonal bipyramids. S(1) is bonded to four equivalent U(1) atoms to form SU4 tetrahedra that share corners with eight equivalent S(1)U4 tetrahedra, corners with eight equivalent Te(1)U5 trigonal bipyramids, edges with two equivalent S(1)U4 tetrahedra, and edges with six equivalent Te(1)U5 trigonal bipyramids. is represented by the CIF card [CIF]
data_UTeS
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   4.318
_cell_length_b   7.729
_cell_length_c   8.949
_cell_angle_alpha   90.000
_cell_angle_beta   90.000
_cell_angle_gamma   90.000
_symmetry_Int_Tables_number   1
_cell_volume   298.645
_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
  U  U0  1  0.250  0.210  0.879  1.0
  U  U1  1  0.750  0.790  0.121  1.0
  U  U2  1  0.250  0.710  0.621  1.0
  U  U3  1  0.750  0.290  0.379  1.0
  Te  Te4  1  0.250  0.973  0.337  1.0
  Te  Te5  1  0.750  0.527  0.837  1.0
  Te  Te6  1  0.250  0.473  0.163  1.0
  Te  Te7  1  0.750  0.027  0.663  1.0
  S  S8  1  0.750  0.147  0.068  1.0
  S  S9  1  0.250  0.353  0.568  1.0
  S  S10  1  0.750  0.647  0.432  1.0
  S  S11  1  0.250  0.853  0.932  1.0
[/CIF]
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