The compound described by NaLiSe crystallizes in the orthorhombic Pnma space group. Na(1) is bonded in a 5-coordinate geometry to five equivalent Se(1) atoms. Li(1) is bonded to four equivalent Se(1) atoms to form a mixture of edge and corner-sharing LiSe4 tetrahedra. Se(1) is bonded in a 9-coordinate geometry to five equivalent Na(1) and four equivalent Li(1) atoms. is represented by the CIF file [CIF]
data_NaLiSe
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   4.239
_cell_length_b   7.119
_cell_length_c   7.681
_cell_angle_alpha   90.000
_cell_angle_beta   90.000
_cell_angle_gamma   90.000
_symmetry_Int_Tables_number   1
_cell_volume   231.802
_cell_formula_units_Z   4
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  0.750  0.487  0.315  1.0
  Na  Na1  1  0.250  0.513  0.685  1.0
  Na  Na2  1  0.750  0.987  0.185  1.0
  Na  Na3  1  0.250  0.013  0.815  1.0
  Li  Li4  1  0.750  0.356  0.927  1.0
  Li  Li5  1  0.250  0.644  0.073  1.0
  Li  Li6  1  0.750  0.856  0.573  1.0
  Li  Li7  1  0.250  0.144  0.427  1.0
  Se  Se8  1  0.750  0.723  0.895  1.0
  Se  Se9  1  0.250  0.277  0.105  1.0
  Se  Se10  1  0.750  0.223  0.605  1.0
  Se  Se11  1  0.250  0.777  0.395  1.0
[/CIF]
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The compound described by NaLiSe crystallizes in the orthorhombic Pnma space group. Na(1) is bonded in a 5-coordinate geometry to five equivalent Se(1) atoms. Li(1) is bonded to four equivalent Se(1) atoms to form a mixture of edge and corner-sharing LiSe4 tetrahedra. Se(1) is bonded in a 9-coordinate geometry to five equivalent Na(1) and four equivalent Li(1) atoms. is represented by the CIF file [CIF]
data_NaLiSe
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   4.239
_cell_length_b   7.119
_cell_length_c   7.681
_cell_angle_alpha   90.000
_cell_angle_beta   90.000
_cell_angle_gamma   90.000
_symmetry_Int_Tables_number   1
_cell_volume   231.802
_cell_formula_units_Z   4
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  0.750  0.487  0.315  1.0
  Na  Na1  1  0.250  0.513  0.685  1.0
  Na  Na2  1  0.750  0.987  0.185  1.0
  Na  Na3  1  0.250  0.013  0.815  1.0
  Li  Li4  1  0.750  0.356  0.927  1.0
  Li  Li5  1  0.250  0.644  0.073  1.0
  Li  Li6  1  0.750  0.856  0.573  1.0
  Li  Li7  1  0.250  0.144  0.427  1.0
  Se  Se8  1  0.750  0.723  0.895  1.0
  Se  Se9  1  0.250  0.277  0.105  1.0
  Se  Se10  1  0.750  0.223  0.605  1.0
  Se  Se11  1  0.250  0.777  0.395  1.0
[/CIF]
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