The material described by Na2CO3 crystallizes in the monoclinic C2/m space group. There are three inequivalent Na sites. In the first Na site, Na(1) is bonded in a 9-coordinate geometry to three equivalent O(1) and six equivalent O(2) atoms. In the second Na site, Na(2) is bonded to two equivalent O(1) and four equivalent O(2) atoms to form face-sharing NaO6 octahedra. In the third Na site, Na(3) is bonded to two equivalent O(1) and four equivalent O(2) atoms to form face-sharing NaO6 octahedra. C(1) is bonded in a trigonal planar geometry to one O(1) and two equivalent O(2) atoms. There are two inequivalent O sites. In the first O site, O(1) is bonded in a 6-coordinate geometry to one Na(2), one Na(3), three equivalent Na(1), and one C(1) atom. In the second O site, O(2) is bonded in a 1-coordinate geometry to one Na(2), one Na(3), three equivalent Na(1), and one C(1) atom. is represented by the CIF card [CIF]
data_Na2CO3
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   5.264
_cell_length_b   5.121
_cell_length_c   5.922
_cell_angle_alpha   101.295
_cell_angle_beta   90.000
_cell_angle_gamma   120.934
_symmetry_Int_Tables_number   1
_cell_volume   133.313
_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  0.669  0.338  0.741  1.0
  Na  Na1  1  0.331  0.662  0.259  1.0
  Na  Na2  1  0.000  0.000  0.000  1.0
  Na  Na3  1  0.000  0.000  0.500  1.0
  C  C4  1  0.336  0.672  0.751  1.0
  C  C5  1  0.664  0.328  0.249  1.0
  O  O6  1  0.212  0.424  0.833  1.0
  O  O7  1  0.390  0.203  0.292  1.0
  O  O8  1  0.187  0.797  0.708  1.0
  O  O9  1  0.813  0.203  0.292  1.0
  O  O10  1  0.610  0.797  0.708  1.0
  O  O11  1  0.788  0.576  0.167  1.0
[/CIF]
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The material described by Na2CO3 crystallizes in the monoclinic C2/m space group. There are three inequivalent Na sites. In the first Na site, Na(1) is bonded in a 9-coordinate geometry to three equivalent O(1) and six equivalent O(2) atoms. In the second Na site, Na(2) is bonded to two equivalent O(1) and four equivalent O(2) atoms to form face-sharing NaO6 octahedra. In the third Na site, Na(3) is bonded to two equivalent O(1) and four equivalent O(2) atoms to form face-sharing NaO6 octahedra. C(1) is bonded in a trigonal planar geometry to one O(1) and two equivalent O(2) atoms. There are two inequivalent O sites. In the first O site, O(1) is bonded in a 6-coordinate geometry to one Na(2), one Na(3), three equivalent Na(1), and one C(1) atom. In the second O site, O(2) is bonded in a 1-coordinate geometry to one Na(2), one Na(3), three equivalent Na(1), and one C(1) atom. is represented by the CIF card [CIF]
data_Na2CO3
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   5.264
_cell_length_b   5.121
_cell_length_c   5.922
_cell_angle_alpha   101.295
_cell_angle_beta   90.000
_cell_angle_gamma   120.934
_symmetry_Int_Tables_number   1
_cell_volume   133.313
_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  0.669  0.338  0.741  1.0
  Na  Na1  1  0.331  0.662  0.259  1.0
  Na  Na2  1  0.000  0.000  0.000  1.0
  Na  Na3  1  0.000  0.000  0.500  1.0
  C  C4  1  0.336  0.672  0.751  1.0
  C  C5  1  0.664  0.328  0.249  1.0
  O  O6  1  0.212  0.424  0.833  1.0
  O  O7  1  0.390  0.203  0.292  1.0
  O  O8  1  0.187  0.797  0.708  1.0
  O  O9  1  0.813  0.203  0.292  1.0
  O  O10  1  0.610  0.797  0.708  1.0
  O  O11  1  0.788  0.576  0.167  1.0
[/CIF]
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