The compound described by NaCO2 crystallizes in the monoclinic P2_1/c space group. Na(1) is bonded to three equivalent O(1) and three equivalent O(2) atoms to form a mixture of corner and edge-sharing NaO6 octahedra. The corner-sharing octahedral tilt angles range from 65-79°. C(1) is bonded in a distorted bent 120 degrees geometry to one O(1) and one O(2) atom. There are two inequivalent O sites. In the first O site, O(1) is bonded to three equivalent Na(1) and one C(1) atom to form distorted corner-sharing ONa3C tetrahedra. In the second O site, O(2) is bonded in a 4-coordinate geometry to three equivalent Na(1) and one C(1) atom. is represented by the CIF file [CIF]
data_NaCO2
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   5.237
_cell_length_b   3.411
_cell_length_c   10.313
_cell_angle_alpha   87.685
_cell_angle_beta   90.000
_cell_angle_gamma   90.000
_symmetry_Int_Tables_number   1
_cell_volume   184.106
_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  0.557  0.700  0.856  1.0
  Na  Na1  1  0.057  0.300  0.644  1.0
  Na  Na2  1  0.443  0.300  0.144  1.0
  Na  Na3  1  0.943  0.700  0.356  1.0
  C  C4  1  0.543  0.885  0.564  1.0
  C  C5  1  0.043  0.115  0.936  1.0
  C  C6  1  0.457  0.115  0.436  1.0
  C  C7  1  0.957  0.885  0.064  1.0
  O  O8  1  0.123  0.827  0.151  1.0
  O  O9  1  0.623  0.173  0.349  1.0
  O  O10  1  0.877  0.173  0.849  1.0
  O  O11  1  0.377  0.827  0.651  1.0
  O  O12  1  0.728  0.774  0.070  1.0
  O  O13  1  0.228  0.226  0.430  1.0
  O  O14  1  0.272  0.226  0.930  1.0
  O  O15  1  0.772  0.774  0.570  1.0
[/CIF]
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The compound described by NaCO2 crystallizes in the monoclinic P2_1/c space group. Na(1) is bonded to three equivalent O(1) and three equivalent O(2) atoms to form a mixture of corner and edge-sharing NaO6 octahedra. The corner-sharing octahedral tilt angles range from 65-79°. C(1) is bonded in a distorted bent 120 degrees geometry to one O(1) and one O(2) atom. There are two inequivalent O sites. In the first O site, O(1) is bonded to three equivalent Na(1) and one C(1) atom to form distorted corner-sharing ONa3C tetrahedra. In the second O site, O(2) is bonded in a 4-coordinate geometry to three equivalent Na(1) and one C(1) atom. is represented by the CIF file [CIF]
data_NaCO2
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   5.237
_cell_length_b   3.411
_cell_length_c   10.313
_cell_angle_alpha   87.685
_cell_angle_beta   90.000
_cell_angle_gamma   90.000
_symmetry_Int_Tables_number   1
_cell_volume   184.106
_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  0.557  0.700  0.856  1.0
  Na  Na1  1  0.057  0.300  0.644  1.0
  Na  Na2  1  0.443  0.300  0.144  1.0
  Na  Na3  1  0.943  0.700  0.356  1.0
  C  C4  1  0.543  0.885  0.564  1.0
  C  C5  1  0.043  0.115  0.936  1.0
  C  C6  1  0.457  0.115  0.436  1.0
  C  C7  1  0.957  0.885  0.064  1.0
  O  O8  1  0.123  0.827  0.151  1.0
  O  O9  1  0.623  0.173  0.349  1.0
  O  O10  1  0.877  0.173  0.849  1.0
  O  O11  1  0.377  0.827  0.651  1.0
  O  O12  1  0.728  0.774  0.070  1.0
  O  O13  1  0.228  0.226  0.430  1.0
  O  O14  1  0.272  0.226  0.930  1.0
  O  O15  1  0.772  0.774  0.570  1.0
[/CIF]
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