The crystal structure described by LiNaCO3 crystallizes in the hexagonal P-6 space group. There are three inequivalent Na sites. In the first Na site, Na(1) is bonded in a 6-coordinate geometry to one O(6), one O(8), two equivalent O(1), and two equivalent O(9) atoms. In the second Na site, Na(2) is bonded to one O(8), two equivalent O(3), and two equivalent O(4) atoms to form distorted NaO5 trigonal bipyramids that share corners with two equivalent Li(2)O4 tetrahedra, edges with two equivalent Li(1)O4 tetrahedra, and edges with two equivalent Na(2)O5 trigonal bipyramids. In the third Na site, Na(3) is bonded in a 5-coordinate geometry to one O(7), two equivalent O(2), and two equivalent O(5) atoms. There are three inequivalent Li sites. In the first Li site, Li(1) is bonded to one O(1), one O(3), and two equivalent O(8) atoms to form LiO4 tetrahedra that share corners with two equivalent Li(1)O4 tetrahedra and edges with two equivalent Na(2)O5 trigonal bipyramids. In the second Li site, Li(2) is bonded to one O(2), one O(4), and two equivalent O(7) atoms to form LiO4 tetrahedra that share corners with two equivalent Li(2)O4 tetrahedra and corners with two equivalent Na(2)O5 trigonal bipyramids. In the third Li site, Li(3) is bonded to one O(5), one O(9), and two equivalent O(6) atoms to form corner-sharing LiO4 tetrahedra. There are five inequivalent C sites. In the first C site, C(1) is bonded in a trigonal planar geometry to one O(6), one O(7), and one O(8) atom. In the second C site, C(2) is bonded in a trigonal planar geometry to one O(1), one O(4), and one O(5) atom. In the third C site, C(3) is bonded in a trigonal planar geometry to three equivalent O(9) atoms. In the fourth C site, C(4) is bonded in a trigonal planar geometry to three equivalent O(2) atoms. In the fifth C site, C(5) is bonded in a trigonal planar geometry to three equivalent O(3) atoms. There are nine inequivalent O sites. In the first O site, O(1) is bonded in a distorted rectangular see-saw-like geometry to two equivalent Na(1), one Li(1), and one C(2) atom. In the second O site, O(2) is bonded in a distorted rectangular see-saw-like geometry to two equivalent Na(3), one Li(2), and one C(4) atom. In the third O site, O(3) is bonded in a rectangular see-saw-like geometry to two equivalent Na(2), one Li(1), and one C(5) atom. In the fourth O site, O(4) is bonded in a 4-coordinate geometry to two equivalent Na(2), one Li(2), and one C(2) atom. In the fifth O site, O(5) is bonded in a 4-coordinate geometry to two equivalent Na(3), one Li(3), and one C(2) atom. In the sixth O site, O(6) is bonded in a 4-coordinate geometry to one Na(1), two equivalent Li(3), and one C(1) atom. In the seventh O site, O(7) is bonded in a 4-coordinate geometry to one Na(3), two equivalent Li(2), and one C(1) atom. In the eighth O site, O(8) is bonded in a 5-coordinate geometry to one Na(1), one Na(2), two equivalent Li(1), and one C(1) atom. In the ninth O site, O(9) is bonded in a 4-coordinate geometry to two equivalent Na(1), one Li(3), and one C(3) atom. is represented by the CIF file [CIF]
data_NaLiCO3
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   14.514
_cell_length_b   14.514
_cell_length_c   3.361
_cell_angle_alpha   90.000
_cell_angle_beta   90.000
_cell_angle_gamma   120.000
_symmetry_Int_Tables_number   1
_cell_volume   613.133
_cell_formula_units_Z   9
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  0.776  0.907  0.500  1.0
  Na  Na1  1  0.120  0.575  0.500  1.0
  Na  Na2  1  0.745  0.193  0.500  1.0
  Na  Na3  1  0.132  0.224  0.500  1.0
  Na  Na4  1  0.093  0.868  0.500  1.0
  Na  Na5  1  0.425  0.545  0.500  1.0
  Na  Na6  1  0.807  0.551  0.500  1.0
  Na  Na7  1  0.449  0.255  0.500  1.0
  Na  Na8  1  0.455  0.880  0.500  1.0
  Li  Li9  1  0.568  0.747  0.000  1.0
  Li  Li10  1  0.580  0.474  0.000  1.0
  Li  Li11  1  0.226  0.100  0.000  1.0
  Li  Li12  1  0.526  0.106  0.000  1.0
  Li  Li13  1  0.874  0.774  0.000  1.0
  Li  Li14  1  0.179  0.432  0.000  1.0
  Li  Li15  1  0.900  0.126  0.000  1.0
  Li  Li16  1  0.253  0.821  0.000  1.0
  Li  Li17  1  0.894  0.420  0.000  1.0
  C  C18  1  0.680  0.668  0.500  1.0
  C  C19  1  0.656  0.991  0.000  1.0
  C  C20  1  0.332  0.013  0.500  1.0
  C  C21  1  0.000  0.000  0.000  1.0
  C  C22  1  0.987  0.320  0.500  1.0
  C  C23  1  0.336  0.344  0.000  1.0
  C  C24  1  0.009  0.664  0.000  1.0
  C  C25  1  0.667  0.333  0.000  1.0
  C  C26  1  0.333  0.667  0.000  1.0
  O  O27  1  0.649  0.899  0.000  1.0
  O  O28  1  0.759  0.419  0.000  1.0
  O  O29  1  0.417  0.655  0.000  1.0
  O  O30  1  0.569  0.998  0.000  1.0
  O  O31  1  0.748  0.077  0.000  1.0
  O  O32  1  0.781  0.739  0.500  1.0
  O  O33  1  0.958  0.219  0.500  1.0
  O  O34  1  0.433  0.083  0.500  1.0
  O  O35  1  0.610  0.698  0.500  1.0
  O  O36  1  0.089  0.390  0.500  1.0
  O  O37  1  0.250  0.351  0.000  1.0
  O  O38  1  0.581  0.340  0.000  1.0
  O  O39  1  0.345  0.761  0.000  1.0
  O  O40  1  0.923  0.671  0.000  1.0
  O  O41  1  0.908  0.995  0.000  1.0
  O  O42  1  0.660  0.241  0.000  1.0
  O  O43  1  0.261  0.042  0.500  1.0
  O  O44  1  0.087  0.092  0.000  1.0
  O  O45  1  0.329  0.252  0.000  1.0
  O  O46  1  0.101  0.750  0.000  1.0
  O  O47  1  0.917  0.350  0.500  1.0
  O  O48  1  0.239  0.583  0.000  1.0
  O  O49  1  0.650  0.567  0.500  1.0
  O  O50  1  0.302  0.911  0.500  1.0
  O  O51  1  0.005  0.913  0.000  1.0
  O  O52  1  0.429  0.431  0.000  1.0
  O  O53  1  0.002  0.571  0.000  1.0
[/CIF]
.
The crystal structure described by LiNaCO3 crystallizes in the hexagonal P-6 space group. There are three inequivalent Na sites. In the first Na site, Na(1) is bonded in a 6-coordinate geometry to one O(6), one O(8), two equivalent O(1), and two equivalent O(9) atoms. In the second Na site, Na(2) is bonded to one O(8), two equivalent O(3), and two equivalent O(4) atoms to form distorted NaO5 trigonal bipyramids that share corners with two equivalent Li(2)O4 tetrahedra, edges with two equivalent Li(1)O4 tetrahedra, and edges with two equivalent Na(2)O5 trigonal bipyramids. In the third Na site, Na(3) is bonded in a 5-coordinate geometry to one O(7), two equivalent O(2), and two equivalent O(5) atoms. There are three inequivalent Li sites. In the first Li site, Li(1) is bonded to one O(1), one O(3), and two equivalent O(8) atoms to form LiO4 tetrahedra that share corners with two equivalent Li(1)O4 tetrahedra and edges with two equivalent Na(2)O5 trigonal bipyramids. In the second Li site, Li(2) is bonded to one O(2), one O(4), and two equivalent O(7) atoms to form LiO4 tetrahedra that share corners with two equivalent Li(2)O4 tetrahedra and corners with two equivalent Na(2)O5 trigonal bipyramids. In the third Li site, Li(3) is bonded to one O(5), one O(9), and two equivalent O(6) atoms to form corner-sharing LiO4 tetrahedra. There are five inequivalent C sites. In the first C site, C(1) is bonded in a trigonal planar geometry to one O(6), one O(7), and one O(8) atom. In the second C site, C(2) is bonded in a trigonal planar geometry to one O(1), one O(4), and one O(5) atom. In the third C site, C(3) is bonded in a trigonal planar geometry to three equivalent O(9) atoms. In the fourth C site, C(4) is bonded in a trigonal planar geometry to three equivalent O(2) atoms. In the fifth C site, C(5) is bonded in a trigonal planar geometry to three equivalent O(3) atoms. There are nine inequivalent O sites. In the first O site, O(1) is bonded in a distorted rectangular see-saw-like geometry to two equivalent Na(1), one Li(1), and one C(2) atom. In the second O site, O(2) is bonded in a distorted rectangular see-saw-like geometry to two equivalent Na(3), one Li(2), and one C(4) atom. In the third O site, O(3) is bonded in a rectangular see-saw-like geometry to two equivalent Na(2), one Li(1), and one C(5) atom. In the fourth O site, O(4) is bonded in a 4-coordinate geometry to two equivalent Na(2), one Li(2), and one C(2) atom. In the fifth O site, O(5) is bonded in a 4-coordinate geometry to two equivalent Na(3), one Li(3), and one C(2) atom. In the sixth O site, O(6) is bonded in a 4-coordinate geometry to one Na(1), two equivalent Li(3), and one C(1) atom. In the seventh O site, O(7) is bonded in a 4-coordinate geometry to one Na(3), two equivalent Li(2), and one C(1) atom. In the eighth O site, O(8) is bonded in a 5-coordinate geometry to one Na(1), one Na(2), two equivalent Li(1), and one C(1) atom. In the ninth O site, O(9) is bonded in a 4-coordinate geometry to two equivalent Na(1), one Li(3), and one C(3) atom. is represented by the CIF file [CIF]
data_NaLiCO3
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   14.514
_cell_length_b   14.514
_cell_length_c   3.361
_cell_angle_alpha   90.000
_cell_angle_beta   90.000
_cell_angle_gamma   120.000
_symmetry_Int_Tables_number   1
_cell_volume   613.133
_cell_formula_units_Z   9
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  0.776  0.907  0.500  1.0
  Na  Na1  1  0.120  0.575  0.500  1.0
  Na  Na2  1  0.745  0.193  0.500  1.0
  Na  Na3  1  0.132  0.224  0.500  1.0
  Na  Na4  1  0.093  0.868  0.500  1.0
  Na  Na5  1  0.425  0.545  0.500  1.0
  Na  Na6  1  0.807  0.551  0.500  1.0
  Na  Na7  1  0.449  0.255  0.500  1.0
  Na  Na8  1  0.455  0.880  0.500  1.0
  Li  Li9  1  0.568  0.747  0.000  1.0
  Li  Li10  1  0.580  0.474  0.000  1.0
  Li  Li11  1  0.226  0.100  0.000  1.0
  Li  Li12  1  0.526  0.106  0.000  1.0
  Li  Li13  1  0.874  0.774  0.000  1.0
  Li  Li14  1  0.179  0.432  0.000  1.0
  Li  Li15  1  0.900  0.126  0.000  1.0
  Li  Li16  1  0.253  0.821  0.000  1.0
  Li  Li17  1  0.894  0.420  0.000  1.0
  C  C18  1  0.680  0.668  0.500  1.0
  C  C19  1  0.656  0.991  0.000  1.0
  C  C20  1  0.332  0.013  0.500  1.0
  C  C21  1  0.000  0.000  0.000  1.0
  C  C22  1  0.987  0.320  0.500  1.0
  C  C23  1  0.336  0.344  0.000  1.0
  C  C24  1  0.009  0.664  0.000  1.0
  C  C25  1  0.667  0.333  0.000  1.0
  C  C26  1  0.333  0.667  0.000  1.0
  O  O27  1  0.649  0.899  0.000  1.0
  O  O28  1  0.759  0.419  0.000  1.0
  O  O29  1  0.417  0.655  0.000  1.0
  O  O30  1  0.569  0.998  0.000  1.0
  O  O31  1  0.748  0.077  0.000  1.0
  O  O32  1  0.781  0.739  0.500  1.0
  O  O33  1  0.958  0.219  0.500  1.0
  O  O34  1  0.433  0.083  0.500  1.0
  O  O35  1  0.610  0.698  0.500  1.0
  O  O36  1  0.089  0.390  0.500  1.0
  O  O37  1  0.250  0.351  0.000  1.0
  O  O38  1  0.581  0.340  0.000  1.0
  O  O39  1  0.345  0.761  0.000  1.0
  O  O40  1  0.923  0.671  0.000  1.0
  O  O41  1  0.908  0.995  0.000  1.0
  O  O42  1  0.660  0.241  0.000  1.0
  O  O43  1  0.261  0.042  0.500  1.0
  O  O44  1  0.087  0.092  0.000  1.0
  O  O45  1  0.329  0.252  0.000  1.0
  O  O46  1  0.101  0.750  0.000  1.0
  O  O47  1  0.917  0.350  0.500  1.0
  O  O48  1  0.239  0.583  0.000  1.0
  O  O49  1  0.650  0.567  0.500  1.0
  O  O50  1  0.302  0.911  0.500  1.0
  O  O51  1  0.005  0.913  0.000  1.0
  O  O52  1  0.429  0.431  0.000  1.0
  O  O53  1  0.002  0.571  0.000  1.0
[/CIF]
.