The compound described by Tl(MoSe)3 crystallizes in the hexagonal P6_3/m space group. Mo(1) is bonded in a distorted see-saw-like geometry to six equivalent Mo(1) and four equivalent Se(1) atoms. Tl(1) is bonded in a trigonal planar geometry to three equivalent Se(1) atoms. Se(1) is bonded in a 5-coordinate geometry to four equivalent Mo(1) and one Tl(1) atom. is represented by the CIF file [CIF]
data_Tl(MoSe)3
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   9.905
_cell_length_b   9.905
_cell_length_c   4.516
_cell_angle_alpha   90.000
_cell_angle_beta   90.000
_cell_angle_gamma   120.000
_symmetry_Int_Tables_number   1
_cell_volume   383.728
_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
  Tl  Tl0  1  0.333  0.667  0.750  1.0
  Tl  Tl1  1  0.667  0.333  0.250  1.0
  Mo  Mo2  1  0.979  0.835  0.750  1.0
  Mo  Mo3  1  0.856  0.021  0.750  1.0
  Mo  Mo4  1  0.165  0.144  0.750  1.0
  Mo  Mo5  1  0.021  0.165  0.250  1.0
  Mo  Mo6  1  0.144  0.979  0.250  1.0
  Mo  Mo7  1  0.835  0.856  0.250  1.0
  Se  Se8  1  0.284  0.957  0.750  1.0
  Se  Se9  1  0.674  0.716  0.750  1.0
  Se  Se10  1  0.043  0.326  0.750  1.0
  Se  Se11  1  0.716  0.043  0.250  1.0
  Se  Se12  1  0.326  0.284  0.250  1.0
  Se  Se13  1  0.957  0.674  0.250  1.0
[/CIF]
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The compound described by Tl(MoSe)3 crystallizes in the hexagonal P6_3/m space group. Mo(1) is bonded in a distorted see-saw-like geometry to six equivalent Mo(1) and four equivalent Se(1) atoms. Tl(1) is bonded in a trigonal planar geometry to three equivalent Se(1) atoms. Se(1) is bonded in a 5-coordinate geometry to four equivalent Mo(1) and one Tl(1) atom. is represented by the CIF file [CIF]
data_Tl(MoSe)3
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   9.905
_cell_length_b   9.905
_cell_length_c   4.516
_cell_angle_alpha   90.000
_cell_angle_beta   90.000
_cell_angle_gamma   120.000
_symmetry_Int_Tables_number   1
_cell_volume   383.728
_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
  Tl  Tl0  1  0.333  0.667  0.750  1.0
  Tl  Tl1  1  0.667  0.333  0.250  1.0
  Mo  Mo2  1  0.979  0.835  0.750  1.0
  Mo  Mo3  1  0.856  0.021  0.750  1.0
  Mo  Mo4  1  0.165  0.144  0.750  1.0
  Mo  Mo5  1  0.021  0.165  0.250  1.0
  Mo  Mo6  1  0.144  0.979  0.250  1.0
  Mo  Mo7  1  0.835  0.856  0.250  1.0
  Se  Se8  1  0.284  0.957  0.750  1.0
  Se  Se9  1  0.674  0.716  0.750  1.0
  Se  Se10  1  0.043  0.326  0.750  1.0
  Se  Se11  1  0.716  0.043  0.250  1.0
  Se  Se12  1  0.326  0.284  0.250  1.0
  Se  Se13  1  0.957  0.674  0.250  1.0
[/CIF]
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