The material described by TaReSe4 is Tungsten Carbide structured and crystallizes in the hexagonal P-6m2 space group. The structure is zero-dimensional and consists of one rhenium selenide (rese2) molecule and one tantalum selenide molecule. is represented by the CIF file [CIF]
data_TaReSe4
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   8.573
_cell_length_b   8.573
_cell_length_c   7.616
_cell_angle_alpha   90.000
_cell_angle_beta   90.000
_cell_angle_gamma   120.000
_symmetry_Int_Tables_number   1
_cell_volume   484.735
_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
  Ta  Ta0  1  0.333  0.667  0.250  1.0
  Re  Re1  1  0.667  0.333  0.750  1.0
  Se  Se2  1  0.333  0.667  0.939  1.0
  Se  Se3  1  0.333  0.667  0.561  1.0
  Se  Se4  1  0.667  0.333  0.046  1.0
  Se  Se5  1  0.667  0.333  0.454  1.0
[/CIF]
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The material described by TaReSe4 is Tungsten Carbide structured and crystallizes in the hexagonal P-6m2 space group. The structure is zero-dimensional and consists of one rhenium selenide (rese2) molecule and one tantalum selenide molecule. is represented by the CIF file [CIF]
data_TaReSe4
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   8.573
_cell_length_b   8.573
_cell_length_c   7.616
_cell_angle_alpha   90.000
_cell_angle_beta   90.000
_cell_angle_gamma   120.000
_symmetry_Int_Tables_number   1
_cell_volume   484.735
_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
  Ta  Ta0  1  0.333  0.667  0.250  1.0
  Re  Re1  1  0.667  0.333  0.750  1.0
  Se  Se2  1  0.333  0.667  0.939  1.0
  Se  Se3  1  0.333  0.667  0.561  1.0
  Se  Se4  1  0.667  0.333  0.046  1.0
  Se  Se5  1  0.667  0.333  0.454  1.0
[/CIF]
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