The crystal structure described by NaHCO3 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. H(1) is bonded in a linear geometry to 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 distorted rectangular see-saw-like geometry to three equivalent Na(1) and one C(1) atom. In the second O site, O(2) is bonded in a 4-coordinate geometry to two equivalent Na(1), one C(1), and one H(1) atom. In the third O site, O(3) is bonded in a 2-coordinate geometry to one Na(1), one C(1), and one H(1) atom. is represented by the Crystallographic Information File (CIF) [CIF]
data_NaHCO3
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   9.782
_cell_length_b   3.539
_cell_length_c   8.111
_cell_angle_alpha   67.805
_cell_angle_beta   90.000
_cell_angle_gamma   90.000
_symmetry_Int_Tables_number   1
_cell_volume   259.969
_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  0.503  0.573  0.214  1.0
  Na  Na1  1  0.003  0.427  0.286  1.0
  Na  Na2  1  0.497  0.427  0.786  1.0
  Na  Na3  1  0.997  0.573  0.714  1.0
  H  H4  1  0.744  0.317  0.648  1.0
  H  H5  1  0.244  0.683  0.852  1.0
  H  H6  1  0.256  0.683  0.352  1.0
  H  H7  1  0.756  0.317  0.148  1.0
  C  C8  1  0.739  0.791  0.422  1.0
  C  C9  1  0.239  0.209  0.078  1.0
  C  C10  1  0.261  0.209  0.578  1.0
  C  C11  1  0.761  0.791  0.922  1.0
  O  O12  1  0.868  0.817  0.425  1.0
  O  O13  1  0.368  0.183  0.075  1.0
  O  O14  1  0.132  0.183  0.575  1.0
  O  O15  1  0.632  0.817  0.925  1.0
  O  O16  1  0.662  0.013  0.295  1.0
  O  O17  1  0.162  0.987  0.205  1.0
  O  O18  1  0.338  0.987  0.705  1.0
  O  O19  1  0.838  0.013  0.795  1.0
  O  O20  1  0.674  0.505  0.560  1.0
  O  O21  1  0.174  0.495  0.940  1.0
  O  O22  1  0.326  0.495  0.440  1.0
  O  O23  1  0.826  0.505  0.060  1.0
[/CIF]
.
The crystal structure described by NaHCO3 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. H(1) is bonded in a linear geometry to 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 distorted rectangular see-saw-like geometry to three equivalent Na(1) and one C(1) atom. In the second O site, O(2) is bonded in a 4-coordinate geometry to two equivalent Na(1), one C(1), and one H(1) atom. In the third O site, O(3) is bonded in a 2-coordinate geometry to one Na(1), one C(1), and one H(1) atom. is represented by the Crystallographic Information File (CIF) [CIF]
data_NaHCO3
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   9.782
_cell_length_b   3.539
_cell_length_c   8.111
_cell_angle_alpha   67.805
_cell_angle_beta   90.000
_cell_angle_gamma   90.000
_symmetry_Int_Tables_number   1
_cell_volume   259.969
_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  0.503  0.573  0.214  1.0
  Na  Na1  1  0.003  0.427  0.286  1.0
  Na  Na2  1  0.497  0.427  0.786  1.0
  Na  Na3  1  0.997  0.573  0.714  1.0
  H  H4  1  0.744  0.317  0.648  1.0
  H  H5  1  0.244  0.683  0.852  1.0
  H  H6  1  0.256  0.683  0.352  1.0
  H  H7  1  0.756  0.317  0.148  1.0
  C  C8  1  0.739  0.791  0.422  1.0
  C  C9  1  0.239  0.209  0.078  1.0
  C  C10  1  0.261  0.209  0.578  1.0
  C  C11  1  0.761  0.791  0.922  1.0
  O  O12  1  0.868  0.817  0.425  1.0
  O  O13  1  0.368  0.183  0.075  1.0
  O  O14  1  0.132  0.183  0.575  1.0
  O  O15  1  0.632  0.817  0.925  1.0
  O  O16  1  0.662  0.013  0.295  1.0
  O  O17  1  0.162  0.987  0.205  1.0
  O  O18  1  0.338  0.987  0.705  1.0
  O  O19  1  0.838  0.013  0.795  1.0
  O  O20  1  0.674  0.505  0.560  1.0
  O  O21  1  0.174  0.495  0.940  1.0
  O  O22  1  0.326  0.495  0.440  1.0
  O  O23  1  0.826  0.505  0.060  1.0
[/CIF]
.