The compound described by U3Se5 crystallizes in the tetragonal I4/mcm space group. There are two inequivalent U sites. In the first U site, U(1) is bonded in a 10-coordinate geometry to two equivalent Se(2) and eight equivalent Se(1) atoms. In the second U site, U(2) is bonded in a 8-coordinate geometry to eight equivalent Se(1) atoms. There are two inequivalent Se sites. In the first Se site, Se(2) is bonded to four equivalent U(1) atoms to form distorted edge-sharing SeU4 tetrahedra. In the second Se site, Se(1) is bonded in a 6-coordinate geometry to two equivalent U(2) and four equivalent U(1) atoms. is represented by the Crystallographic Information File (CIF) [CIF]
data_U3Se5
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   8.338
_cell_length_b   8.338
_cell_length_c   8.338
_cell_angle_alpha   96.964
_cell_angle_beta   96.964
_cell_angle_gamma   139.246
_symmetry_Int_Tables_number   1
_cell_volume   354.798
_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  0.661  0.161  0.823  1.0
  U  U1  1  0.339  0.839  0.177  1.0
  U  U2  1  0.839  0.661  0.500  1.0
  U  U3  1  0.161  0.339  0.500  1.0
  U  U4  1  0.750  0.750  0.000  1.0
  U  U5  1  0.250  0.250  0.000  1.0
  Se  Se6  1  0.221  0.080  0.302  1.0
  Se  Se7  1  0.779  0.920  0.698  1.0
  Se  Se8  1  0.279  0.580  0.859  1.0
  Se  Se9  1  0.721  0.420  0.141  1.0
  Se  Se10  1  0.080  0.779  0.859  1.0
  Se  Se11  1  0.920  0.221  0.141  1.0
  Se  Se12  1  0.580  0.721  0.302  1.0
  Se  Se13  1  0.420  0.279  0.698  1.0
  Se  Se14  1  0.250  0.750  0.500  1.0
  Se  Se15  1  0.750  0.250  0.500  1.0
[/CIF]
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The compound described by U3Se5 crystallizes in the tetragonal I4/mcm space group. There are two inequivalent U sites. In the first U site, U(1) is bonded in a 10-coordinate geometry to two equivalent Se(2) and eight equivalent Se(1) atoms. In the second U site, U(2) is bonded in a 8-coordinate geometry to eight equivalent Se(1) atoms. There are two inequivalent Se sites. In the first Se site, Se(2) is bonded to four equivalent U(1) atoms to form distorted edge-sharing SeU4 tetrahedra. In the second Se site, Se(1) is bonded in a 6-coordinate geometry to two equivalent U(2) and four equivalent U(1) atoms. is represented by the Crystallographic Information File (CIF) [CIF]
data_U3Se5
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   8.338
_cell_length_b   8.338
_cell_length_c   8.338
_cell_angle_alpha   96.964
_cell_angle_beta   96.964
_cell_angle_gamma   139.246
_symmetry_Int_Tables_number   1
_cell_volume   354.798
_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  0.661  0.161  0.823  1.0
  U  U1  1  0.339  0.839  0.177  1.0
  U  U2  1  0.839  0.661  0.500  1.0
  U  U3  1  0.161  0.339  0.500  1.0
  U  U4  1  0.750  0.750  0.000  1.0
  U  U5  1  0.250  0.250  0.000  1.0
  Se  Se6  1  0.221  0.080  0.302  1.0
  Se  Se7  1  0.779  0.920  0.698  1.0
  Se  Se8  1  0.279  0.580  0.859  1.0
  Se  Se9  1  0.721  0.420  0.141  1.0
  Se  Se10  1  0.080  0.779  0.859  1.0
  Se  Se11  1  0.920  0.221  0.141  1.0
  Se  Se12  1  0.580  0.721  0.302  1.0
  Se  Se13  1  0.420  0.279  0.698  1.0
  Se  Se14  1  0.250  0.750  0.500  1.0
  Se  Se15  1  0.750  0.250  0.500  1.0
[/CIF]
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