The material structure described by U2TeSeS2 crystallizes in the orthorhombic Pmc2_1 space group. There are two inequivalent U sites. In the first U site, U(1) is bonded in a 8-coordinate geometry to two equivalent Te(1), two equivalent Se(1), and four equivalent S(2) atoms. In the second U site, U(2) is bonded in a 6-coordinate geometry to two equivalent Te(1), two equivalent Se(1), and four equivalent S(1) atoms. Te(1) is bonded in a 4-coordinate geometry to two equivalent U(1) and two equivalent U(2) atoms. Se(1) is bonded in a 4-coordinate geometry to two equivalent U(1) and two equivalent U(2) atoms. There are two inequivalent S sites. In the first S site, S(1) is bonded in a square co-planar geometry to four equivalent U(2) atoms. In the second S site, S(2) is bonded in a square co-planar geometry to four equivalent U(1) atoms. is represented by the Crystallographic Information File (CIF) [CIF]
data_U2TeSeS2
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   3.805
_cell_length_b   6.778
_cell_length_c   11.099
_cell_angle_alpha   90.000
_cell_angle_beta   90.000
_cell_angle_gamma   90.000
_symmetry_Int_Tables_number   1
_cell_volume   286.263
_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
  U  U0  1  0.750  0.184  0.670  1.0
  U  U1  1  0.750  0.684  0.830  1.0
  U  U2  1  0.250  0.794  0.345  1.0
  U  U3  1  0.250  0.294  0.155  1.0
  Te  Te4  1  0.250  0.246  0.459  1.0
  Te  Te5  1  0.250  0.746  0.041  1.0
  Se  Se6  1  0.750  0.787  0.539  1.0
  Se  Se7  1  0.750  0.287  0.961  1.0
  S  S8  1  0.750  0.029  0.239  1.0
  S  S9  1  0.750  0.529  0.261  1.0
  S  S10  1  0.250  0.960  0.769  1.0
  S  S11  1  0.250  0.460  0.731  1.0
[/CIF]
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The material structure described by U2TeSeS2 crystallizes in the orthorhombic Pmc2_1 space group. There are two inequivalent U sites. In the first U site, U(1) is bonded in a 8-coordinate geometry to two equivalent Te(1), two equivalent Se(1), and four equivalent S(2) atoms. In the second U site, U(2) is bonded in a 6-coordinate geometry to two equivalent Te(1), two equivalent Se(1), and four equivalent S(1) atoms. Te(1) is bonded in a 4-coordinate geometry to two equivalent U(1) and two equivalent U(2) atoms. Se(1) is bonded in a 4-coordinate geometry to two equivalent U(1) and two equivalent U(2) atoms. There are two inequivalent S sites. In the first S site, S(1) is bonded in a square co-planar geometry to four equivalent U(2) atoms. In the second S site, S(2) is bonded in a square co-planar geometry to four equivalent U(1) atoms. is represented by the Crystallographic Information File (CIF) [CIF]
data_U2TeSeS2
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   3.805
_cell_length_b   6.778
_cell_length_c   11.099
_cell_angle_alpha   90.000
_cell_angle_beta   90.000
_cell_angle_gamma   90.000
_symmetry_Int_Tables_number   1
_cell_volume   286.263
_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
  U  U0  1  0.750  0.184  0.670  1.0
  U  U1  1  0.750  0.684  0.830  1.0
  U  U2  1  0.250  0.794  0.345  1.0
  U  U3  1  0.250  0.294  0.155  1.0
  Te  Te4  1  0.250  0.246  0.459  1.0
  Te  Te5  1  0.250  0.746  0.041  1.0
  Se  Se6  1  0.750  0.787  0.539  1.0
  Se  Se7  1  0.750  0.287  0.961  1.0
  S  S8  1  0.750  0.029  0.239  1.0
  S  S9  1  0.750  0.529  0.261  1.0
  S  S10  1  0.250  0.960  0.769  1.0
  S  S11  1  0.250  0.460  0.731  1.0
[/CIF]
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