The crystal structure described by NaLiO crystallizes in the tetragonal I4/mmm space group. Na(1) is bonded to four equivalent O(1) atoms to form a mixture of distorted edge and corner-sharing NaO4 tetrahedra. Li(1) is bonded in a linear geometry to two equivalent O(1) atoms. O(1) is bonded to four equivalent Na(1) and two equivalent Li(1) atoms to form a mixture of distorted edge and corner-sharing ONa4Li2 octahedra. The corner-sharing octahedral tilt angles range from 8-27°. is represented by the CIF file [CIF]
data_NaLiO
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   6.801
_cell_length_b   6.801
_cell_length_c   6.801
_cell_angle_alpha   96.447
_cell_angle_beta   96.447
_cell_angle_gamma   140.845
_symmetry_Int_Tables_number   1
_cell_volume   187.105
_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  0.500  0.158  0.658  1.0
  Na  Na1  1  0.158  0.500  0.658  1.0
  Na  Na2  1  0.842  0.500  0.342  1.0
  Na  Na3  1  0.500  0.842  0.342  1.0
  Li  Li4  1  0.850  0.150  0.000  1.0
  Li  Li5  1  0.850  0.850  0.699  1.0
  Li  Li6  1  0.150  0.150  0.301  1.0
  Li  Li7  1  0.150  0.850  0.000  1.0
  O  O8  1  0.000  0.719  0.719  1.0
  O  O9  1  0.719  0.000  0.719  1.0
  O  O10  1  0.281  0.000  0.281  1.0
  O  O11  1  0.000  0.281  0.281  1.0
[/CIF]
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The crystal structure described by NaLiO crystallizes in the tetragonal I4/mmm space group. Na(1) is bonded to four equivalent O(1) atoms to form a mixture of distorted edge and corner-sharing NaO4 tetrahedra. Li(1) is bonded in a linear geometry to two equivalent O(1) atoms. O(1) is bonded to four equivalent Na(1) and two equivalent Li(1) atoms to form a mixture of distorted edge and corner-sharing ONa4Li2 octahedra. The corner-sharing octahedral tilt angles range from 8-27°. is represented by the CIF file [CIF]
data_NaLiO
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   6.801
_cell_length_b   6.801
_cell_length_c   6.801
_cell_angle_alpha   96.447
_cell_angle_beta   96.447
_cell_angle_gamma   140.845
_symmetry_Int_Tables_number   1
_cell_volume   187.105
_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  0.500  0.158  0.658  1.0
  Na  Na1  1  0.158  0.500  0.658  1.0
  Na  Na2  1  0.842  0.500  0.342  1.0
  Na  Na3  1  0.500  0.842  0.342  1.0
  Li  Li4  1  0.850  0.150  0.000  1.0
  Li  Li5  1  0.850  0.850  0.699  1.0
  Li  Li6  1  0.150  0.150  0.301  1.0
  Li  Li7  1  0.150  0.850  0.000  1.0
  O  O8  1  0.000  0.719  0.719  1.0
  O  O9  1  0.719  0.000  0.719  1.0
  O  O10  1  0.281  0.000  0.281  1.0
  O  O11  1  0.000  0.281  0.281  1.0
[/CIF]
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