The compound described by Na2CO3 crystallizes in the hexagonal P6_3/mmc space group. There are two inequivalent Na sites. In the first Na site, Na(1) is bonded in a distorted hexagonal planar geometry to six equivalent O(1) atoms. In the second Na site, Na(2) is bonded to six equivalent O(1) atoms to form face-sharing NaO6 octahedra. C(1) is bonded in a trigonal planar geometry to three equivalent O(1) atoms. O(1) is bonded in a 5-coordinate geometry to two equivalent Na(1), two equivalent Na(2), and one C(1) atom. is represented by the Crystallographic Information File (CIF) [CIF]
data_Na2CO3
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   5.211
_cell_length_b   5.211
_cell_length_c   6.073
_cell_angle_alpha   90.000
_cell_angle_beta   90.000
_cell_angle_gamma   120.000
_symmetry_Int_Tables_number   1
_cell_volume   142.784
_cell_formula_units_Z   2
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  0.333  0.667  0.250  1.0
  Na  Na1  1  0.667  0.333  0.750  1.0
  Na  Na2  1  0.000  0.000  0.500  1.0
  Na  Na3  1  0.000  0.000  0.000  1.0
  C  C4  1  0.667  0.333  0.250  1.0
  C  C5  1  0.333  0.667  0.750  1.0
  O  O6  1  0.810  0.619  0.250  1.0
  O  O7  1  0.190  0.381  0.750  1.0
  O  O8  1  0.190  0.810  0.750  1.0
  O  O9  1  0.381  0.190  0.250  1.0
  O  O10  1  0.810  0.190  0.250  1.0
  O  O11  1  0.619  0.810  0.750  1.0
[/CIF]
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The compound described by Na2CO3 crystallizes in the hexagonal P6_3/mmc space group. There are two inequivalent Na sites. In the first Na site, Na(1) is bonded in a distorted hexagonal planar geometry to six equivalent O(1) atoms. In the second Na site, Na(2) is bonded to six equivalent O(1) atoms to form face-sharing NaO6 octahedra. C(1) is bonded in a trigonal planar geometry to three equivalent O(1) atoms. O(1) is bonded in a 5-coordinate geometry to two equivalent Na(1), two equivalent Na(2), and one C(1) atom. is represented by the Crystallographic Information File (CIF) [CIF]
data_Na2CO3
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   5.211
_cell_length_b   5.211
_cell_length_c   6.073
_cell_angle_alpha   90.000
_cell_angle_beta   90.000
_cell_angle_gamma   120.000
_symmetry_Int_Tables_number   1
_cell_volume   142.784
_cell_formula_units_Z   2
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  0.333  0.667  0.250  1.0
  Na  Na1  1  0.667  0.333  0.750  1.0
  Na  Na2  1  0.000  0.000  0.500  1.0
  Na  Na3  1  0.000  0.000  0.000  1.0
  C  C4  1  0.667  0.333  0.250  1.0
  C  C5  1  0.333  0.667  0.750  1.0
  O  O6  1  0.810  0.619  0.250  1.0
  O  O7  1  0.190  0.381  0.750  1.0
  O  O8  1  0.190  0.810  0.750  1.0
  O  O9  1  0.381  0.190  0.250  1.0
  O  O10  1  0.810  0.190  0.250  1.0
  O  O11  1  0.619  0.810  0.750  1.0
[/CIF]
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