The crystal structure described by U2TeSe is Caswellsilverite structured and crystallizes in the trigonal R-3m space group. U(1) is bonded to three equivalent Te(1) and three equivalent Se(1) atoms to form a mixture of edge and corner-sharing UTe3Se3 octahedra. The corner-sharing octahedra are not tilted. Te(1) is bonded to six equivalent U(1) atoms to form TeU6 octahedra that share corners with six equivalent Se(1)U6 octahedra, edges with six equivalent Te(1)U6 octahedra, and edges with six equivalent Se(1)U6 octahedra. The corner-sharing octahedral tilt angles are 6°. Se(1) is bonded to six equivalent U(1) atoms to form SeU6 octahedra that share corners with six equivalent Te(1)U6 octahedra, edges with six equivalent Te(1)U6 octahedra, and edges with six equivalent Se(1)U6 octahedra. The corner-sharing octahedral tilt angles are 6°. is represented by the Crystallographic Information File (CIF) [CIF]
data_U2TeSe
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   7.071
_cell_length_b   7.071
_cell_length_c   7.071
_cell_angle_alpha   35.321
_cell_angle_beta   35.321
_cell_angle_gamma   35.321
_symmetry_Int_Tables_number   1
_cell_volume   105.593
_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
  U  U0  1  0.260  0.260  0.260  1.0
  U  U1  1  0.740  0.740  0.740  1.0
  Te  Te2  1  0.500  0.500  0.500  1.0
  Se  Se3  1  0.000  0.000  0.000  1.0
[/CIF]
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The crystal structure described by U2TeSe is Caswellsilverite structured and crystallizes in the trigonal R-3m space group. U(1) is bonded to three equivalent Te(1) and three equivalent Se(1) atoms to form a mixture of edge and corner-sharing UTe3Se3 octahedra. The corner-sharing octahedra are not tilted. Te(1) is bonded to six equivalent U(1) atoms to form TeU6 octahedra that share corners with six equivalent Se(1)U6 octahedra, edges with six equivalent Te(1)U6 octahedra, and edges with six equivalent Se(1)U6 octahedra. The corner-sharing octahedral tilt angles are 6°. Se(1) is bonded to six equivalent U(1) atoms to form SeU6 octahedra that share corners with six equivalent Te(1)U6 octahedra, edges with six equivalent Te(1)U6 octahedra, and edges with six equivalent Se(1)U6 octahedra. The corner-sharing octahedral tilt angles are 6°. is represented by the Crystallographic Information File (CIF) [CIF]
data_U2TeSe
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   7.071
_cell_length_b   7.071
_cell_length_c   7.071
_cell_angle_alpha   35.321
_cell_angle_beta   35.321
_cell_angle_gamma   35.321
_symmetry_Int_Tables_number   1
_cell_volume   105.593
_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
  U  U0  1  0.260  0.260  0.260  1.0
  U  U1  1  0.740  0.740  0.740  1.0
  Te  Te2  1  0.500  0.500  0.500  1.0
  Se  Se3  1  0.000  0.000  0.000  1.0
[/CIF]
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