The compound described by NaCO3 crystallizes in the monoclinic P2_1/c space group. Na(1) is bonded to one O(3), two equivalent O(2), and three equivalent O(1) atoms to form edge-sharing NaO6 octahedra. C(1) is bonded in a trigonal planar geometry to one O(1), one O(2), and one O(3) atom. There are three inequivalent O sites. In the first O site, O(1) is bonded in a 4-coordinate geometry to three equivalent Na(1) and one C(1) atom. In the second O site, O(2) is bonded in a 3-coordinate geometry to two equivalent Na(1) and one C(1) atom. In the third O site, O(3) is bonded in a bent 150 degrees geometry to one Na(1) and one C(1) atom. is represented by the CIF card [CIF]
data_NaCO3
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   9.152
_cell_length_b   3.461
_cell_length_c   8.213
_cell_angle_alpha   71.890
_cell_angle_beta   90.000
_cell_angle_gamma   90.000
_symmetry_Int_Tables_number   1
_cell_volume   247.229
_cell_formula_units_Z   4
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  0.501  0.577  0.200  1.0
  Na  Na1  1  0.001  0.423  0.300  1.0
  Na  Na2  1  0.499  0.423  0.800  1.0
  Na  Na3  1  0.999  0.577  0.700  1.0
  C  C4  1  0.727  0.804  0.440  1.0
  C  C5  1  0.227  0.196  0.060  1.0
  C  C6  1  0.273  0.196  0.560  1.0
  C  C7  1  0.773  0.804  0.940  1.0
  O  O8  1  0.865  0.824  0.436  1.0
  O  O9  1  0.365  0.176  0.064  1.0
  O  O10  1  0.135  0.176  0.564  1.0
  O  O11  1  0.635  0.824  0.936  1.0
  O  O12  1  0.644  0.999  0.317  1.0
  O  O13  1  0.144  0.001  0.183  1.0
  O  O14  1  0.356  0.001  0.683  1.0
  O  O15  1  0.856  0.999  0.817  1.0
  O  O16  1  0.658  0.574  0.569  1.0
  O  O17  1  0.158  0.426  0.931  1.0
  O  O18  1  0.342  0.426  0.431  1.0
  O  O19  1  0.842  0.574  0.069  1.0
[/CIF]
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The compound described by NaCO3 crystallizes in the monoclinic P2_1/c space group. Na(1) is bonded to one O(3), two equivalent O(2), and three equivalent O(1) atoms to form edge-sharing NaO6 octahedra. C(1) is bonded in a trigonal planar geometry to one O(1), one O(2), and one O(3) atom. There are three inequivalent O sites. In the first O site, O(1) is bonded in a 4-coordinate geometry to three equivalent Na(1) and one C(1) atom. In the second O site, O(2) is bonded in a 3-coordinate geometry to two equivalent Na(1) and one C(1) atom. In the third O site, O(3) is bonded in a bent 150 degrees geometry to one Na(1) and one C(1) atom. is represented by the CIF card [CIF]
data_NaCO3
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   9.152
_cell_length_b   3.461
_cell_length_c   8.213
_cell_angle_alpha   71.890
_cell_angle_beta   90.000
_cell_angle_gamma   90.000
_symmetry_Int_Tables_number   1
_cell_volume   247.229
_cell_formula_units_Z   4
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  0.501  0.577  0.200  1.0
  Na  Na1  1  0.001  0.423  0.300  1.0
  Na  Na2  1  0.499  0.423  0.800  1.0
  Na  Na3  1  0.999  0.577  0.700  1.0
  C  C4  1  0.727  0.804  0.440  1.0
  C  C5  1  0.227  0.196  0.060  1.0
  C  C6  1  0.273  0.196  0.560  1.0
  C  C7  1  0.773  0.804  0.940  1.0
  O  O8  1  0.865  0.824  0.436  1.0
  O  O9  1  0.365  0.176  0.064  1.0
  O  O10  1  0.135  0.176  0.564  1.0
  O  O11  1  0.635  0.824  0.936  1.0
  O  O12  1  0.644  0.999  0.317  1.0
  O  O13  1  0.144  0.001  0.183  1.0
  O  O14  1  0.356  0.001  0.683  1.0
  O  O15  1  0.856  0.999  0.817  1.0
  O  O16  1  0.658  0.574  0.569  1.0
  O  O17  1  0.158  0.426  0.931  1.0
  O  O18  1  0.342  0.426  0.431  1.0
  O  O19  1  0.842  0.574  0.069  1.0
[/CIF]
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