The material structure described by LiNaCO3 crystallizes in the hexagonal P-6 space group. Na(1) is bonded in a 5-coordinate geometry to one O(3), two equivalent O(1), and two equivalent O(2) atoms. Li(1) is bonded to one O(1), one O(2), and two equivalent O(3) atoms to form corner-sharing LiO4 tetrahedra. There are three 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. In the third C site, C(3) is bonded in a trigonal planar geometry to three equivalent O(3) atoms. There are three 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(1), one Li(1), and one C(1) atom. In the third O site, O(3) is bonded in a 4-coordinate geometry to one Na(1), two equivalent Li(1), and one C(3) atom. is represented by the Crystallographic Information File (CIF) [CIF]
data_NaLiCO3
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   8.397
_cell_length_b   8.397
_cell_length_c   3.340
_cell_angle_alpha   90.000
_cell_angle_beta   90.000
_cell_angle_gamma   120.000
_symmetry_Int_Tables_number   1
_cell_volume   203.960
_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  0.321  0.292  0.500  1.0
  Na  Na1  1  0.708  0.029  0.500  1.0
  Na  Na2  1  0.971  0.679  0.500  1.0
  Li  Li3  1  0.342  0.967  0.000  1.0
  Li  Li4  1  0.625  0.658  0.000  1.0
  Li  Li5  1  0.033  0.375  0.000  1.0
  C  C6  1  0.000  0.000  0.000  1.0
  C  C7  1  0.667  0.333  0.000  1.0
  C  C8  1  0.333  0.667  0.500  1.0
  O  O9  1  0.488  0.235  0.000  1.0
  O  O10  1  0.765  0.253  0.000  1.0
  O  O11  1  0.747  0.512  0.000  1.0
  O  O12  1  0.821  0.910  0.000  1.0
  O  O13  1  0.090  0.911  0.000  1.0
  O  O14  1  0.463  0.624  0.500  1.0
  O  O15  1  0.161  0.537  0.500  1.0
  O  O16  1  0.376  0.839  0.500  1.0
  O  O17  1  0.089  0.179  0.000  1.0
[/CIF]
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The material structure described by LiNaCO3 crystallizes in the hexagonal P-6 space group. Na(1) is bonded in a 5-coordinate geometry to one O(3), two equivalent O(1), and two equivalent O(2) atoms. Li(1) is bonded to one O(1), one O(2), and two equivalent O(3) atoms to form corner-sharing LiO4 tetrahedra. There are three 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. In the third C site, C(3) is bonded in a trigonal planar geometry to three equivalent O(3) atoms. There are three 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(1), one Li(1), and one C(1) atom. In the third O site, O(3) is bonded in a 4-coordinate geometry to one Na(1), two equivalent Li(1), and one C(3) atom. is represented by the Crystallographic Information File (CIF) [CIF]
data_NaLiCO3
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   8.397
_cell_length_b   8.397
_cell_length_c   3.340
_cell_angle_alpha   90.000
_cell_angle_beta   90.000
_cell_angle_gamma   120.000
_symmetry_Int_Tables_number   1
_cell_volume   203.960
_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  0.321  0.292  0.500  1.0
  Na  Na1  1  0.708  0.029  0.500  1.0
  Na  Na2  1  0.971  0.679  0.500  1.0
  Li  Li3  1  0.342  0.967  0.000  1.0
  Li  Li4  1  0.625  0.658  0.000  1.0
  Li  Li5  1  0.033  0.375  0.000  1.0
  C  C6  1  0.000  0.000  0.000  1.0
  C  C7  1  0.667  0.333  0.000  1.0
  C  C8  1  0.333  0.667  0.500  1.0
  O  O9  1  0.488  0.235  0.000  1.0
  O  O10  1  0.765  0.253  0.000  1.0
  O  O11  1  0.747  0.512  0.000  1.0
  O  O12  1  0.821  0.910  0.000  1.0
  O  O13  1  0.090  0.911  0.000  1.0
  O  O14  1  0.463  0.624  0.500  1.0
  O  O15  1  0.161  0.537  0.500  1.0
  O  O16  1  0.376  0.839  0.500  1.0
  O  O17  1  0.089  0.179  0.000  1.0
[/CIF]
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