The crystal structure described by LiNaCO3 crystallizes in the hexagonal P-62m space group. Na(1) is bonded to two equivalent O(1) and four equivalent O(2) atoms to form distorted NaO6 octahedra that share corners with two equivalent Na(1)O6 octahedra, edges with two equivalent Na(1)O6 octahedra, and edges with four equivalent Li(1)O4 tetrahedra. The corner-sharing octahedral tilt angles are 7°. Li(1) is bonded to two equivalent O(1) and two equivalent O(2) atoms to form LiO4 tetrahedra that share corners with two equivalent Li(1)O4 tetrahedra and edges with four equivalent Na(1)O6 octahedra. There are two inequivalent C sites. In the first C site, C(1) is bonded in a trigonal planar geometry to three equivalent O(2) atoms. In the second C site, C(2) is bonded in a trigonal planar geometry to three equivalent O(1) atoms. There are two inequivalent O sites. In the first O site, O(1) is bonded to two equivalent Na(1), two equivalent Li(1), and one C(2) atom to form a mixture of distorted corner and edge-sharing ONa2Li2C trigonal bipyramids. In the second O site, O(2) is bonded in a rectangular see-saw-like geometry to two equivalent Na(1), one Li(1), and one C(1) atom. is represented by the CIF file [CIF]
data_NaLiCO3
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   8.418
_cell_length_b   8.418
_cell_length_c   3.404
_cell_angle_alpha   90.000
_cell_angle_beta   90.000
_cell_angle_gamma   120.000
_symmetry_Int_Tables_number   1
_cell_volume   208.903
_cell_formula_units_Z   3
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  0.344  0.344  0.500  1.0
  Na  Na1  1  0.000  0.656  0.500  1.0
  Na  Na2  1  0.656  0.000  0.500  1.0
  Li  Li3  1  0.710  0.710  0.000  1.0
  Li  Li4  1  0.290  0.000  0.000  1.0
  Li  Li5  1  0.000  0.290  0.000  1.0
  C  C6  1  0.667  0.333  0.000  1.0
  C  C7  1  0.333  0.667  0.000  1.0
  C  C8  1  0.000  0.000  0.500  1.0
  O  O9  1  0.846  0.846  0.500  1.0
  O  O10  1  0.237  0.748  0.000  1.0
  O  O11  1  0.488  0.252  0.000  1.0
  O  O12  1  0.154  0.000  0.500  1.0
  O  O13  1  0.000  0.154  0.500  1.0
  O  O14  1  0.748  0.237  0.000  1.0
  O  O15  1  0.512  0.763  0.000  1.0
  O  O16  1  0.252  0.488  0.000  1.0
  O  O17  1  0.763  0.512  0.000  1.0
[/CIF]
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The crystal structure described by LiNaCO3 crystallizes in the hexagonal P-62m space group. Na(1) is bonded to two equivalent O(1) and four equivalent O(2) atoms to form distorted NaO6 octahedra that share corners with two equivalent Na(1)O6 octahedra, edges with two equivalent Na(1)O6 octahedra, and edges with four equivalent Li(1)O4 tetrahedra. The corner-sharing octahedral tilt angles are 7°. Li(1) is bonded to two equivalent O(1) and two equivalent O(2) atoms to form LiO4 tetrahedra that share corners with two equivalent Li(1)O4 tetrahedra and edges with four equivalent Na(1)O6 octahedra. There are two inequivalent C sites. In the first C site, C(1) is bonded in a trigonal planar geometry to three equivalent O(2) atoms. In the second C site, C(2) is bonded in a trigonal planar geometry to three equivalent O(1) atoms. There are two inequivalent O sites. In the first O site, O(1) is bonded to two equivalent Na(1), two equivalent Li(1), and one C(2) atom to form a mixture of distorted corner and edge-sharing ONa2Li2C trigonal bipyramids. In the second O site, O(2) is bonded in a rectangular see-saw-like geometry to two equivalent Na(1), one Li(1), and one C(1) atom. is represented by the CIF file [CIF]
data_NaLiCO3
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   8.418
_cell_length_b   8.418
_cell_length_c   3.404
_cell_angle_alpha   90.000
_cell_angle_beta   90.000
_cell_angle_gamma   120.000
_symmetry_Int_Tables_number   1
_cell_volume   208.903
_cell_formula_units_Z   3
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  0.344  0.344  0.500  1.0
  Na  Na1  1  0.000  0.656  0.500  1.0
  Na  Na2  1  0.656  0.000  0.500  1.0
  Li  Li3  1  0.710  0.710  0.000  1.0
  Li  Li4  1  0.290  0.000  0.000  1.0
  Li  Li5  1  0.000  0.290  0.000  1.0
  C  C6  1  0.667  0.333  0.000  1.0
  C  C7  1  0.333  0.667  0.000  1.0
  C  C8  1  0.000  0.000  0.500  1.0
  O  O9  1  0.846  0.846  0.500  1.0
  O  O10  1  0.237  0.748  0.000  1.0
  O  O11  1  0.488  0.252  0.000  1.0
  O  O12  1  0.154  0.000  0.500  1.0
  O  O13  1  0.000  0.154  0.500  1.0
  O  O14  1  0.748  0.237  0.000  1.0
  O  O15  1  0.512  0.763  0.000  1.0
  O  O16  1  0.252  0.488  0.000  1.0
  O  O17  1  0.763  0.512  0.000  1.0
[/CIF]
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