The compound described by Na(MoSe)3 crystallizes in the hexagonal P6_3/m space group. Na(1) is bonded in a 9-coordinate geometry to nine equivalent Se(1) atoms. Mo(1) is bonded in a distorted see-saw-like geometry to four equivalent Se(1) atoms. Se(1) is bonded in a 7-coordinate geometry to three equivalent Na(1) and four equivalent Mo(1) atoms. is represented by the Crystallographic Information File (CIF) [CIF]
data_Na(MoSe)3
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   8.878
_cell_length_b   8.878
_cell_length_c   4.522
_cell_angle_alpha   90.000
_cell_angle_beta   90.000
_cell_angle_gamma   120.000
_symmetry_Int_Tables_number   1
_cell_volume   308.683
_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
  Na  Na0  1  0.667  0.333  0.750  1.0
  Na  Na1  1  0.333  0.667  0.250  1.0
  Mo  Mo2  1  0.974  0.815  0.750  1.0
  Mo  Mo3  1  0.841  0.026  0.750  1.0
  Mo  Mo4  1  0.185  0.159  0.750  1.0
  Mo  Mo5  1  0.026  0.185  0.250  1.0
  Mo  Mo6  1  0.159  0.974  0.250  1.0
  Mo  Mo7  1  0.815  0.841  0.250  1.0
  Se  Se8  1  0.316  0.950  0.750  1.0
  Se  Se9  1  0.634  0.684  0.750  1.0
  Se  Se10  1  0.050  0.366  0.750  1.0
  Se  Se11  1  0.684  0.050  0.250  1.0
  Se  Se12  1  0.366  0.316  0.250  1.0
  Se  Se13  1  0.950  0.634  0.250  1.0
[/CIF]
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The compound described by Na(MoSe)3 crystallizes in the hexagonal P6_3/m space group. Na(1) is bonded in a 9-coordinate geometry to nine equivalent Se(1) atoms. Mo(1) is bonded in a distorted see-saw-like geometry to four equivalent Se(1) atoms. Se(1) is bonded in a 7-coordinate geometry to three equivalent Na(1) and four equivalent Mo(1) atoms. is represented by the Crystallographic Information File (CIF) [CIF]
data_Na(MoSe)3
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   8.878
_cell_length_b   8.878
_cell_length_c   4.522
_cell_angle_alpha   90.000
_cell_angle_beta   90.000
_cell_angle_gamma   120.000
_symmetry_Int_Tables_number   1
_cell_volume   308.683
_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
  Na  Na0  1  0.667  0.333  0.750  1.0
  Na  Na1  1  0.333  0.667  0.250  1.0
  Mo  Mo2  1  0.974  0.815  0.750  1.0
  Mo  Mo3  1  0.841  0.026  0.750  1.0
  Mo  Mo4  1  0.185  0.159  0.750  1.0
  Mo  Mo5  1  0.026  0.185  0.250  1.0
  Mo  Mo6  1  0.159  0.974  0.250  1.0
  Mo  Mo7  1  0.815  0.841  0.250  1.0
  Se  Se8  1  0.316  0.950  0.750  1.0
  Se  Se9  1  0.634  0.684  0.750  1.0
  Se  Se10  1  0.050  0.366  0.750  1.0
  Se  Se11  1  0.684  0.050  0.250  1.0
  Se  Se12  1  0.366  0.316  0.250  1.0
  Se  Se13  1  0.950  0.634  0.250  1.0
[/CIF]
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