The crystal structure described by KHCO3 crystallizes in the monoclinic C2/c space group. K(1) is bonded in a 8-coordinate geometry to two equivalent O(1), two equivalent O(2), and four equivalent O(3) atoms. C(1) is bonded in a distorted bent 120 degrees geometry to one O(2) and one O(3) atom. H(1) is bonded in a linear geometry to one O(1) and one O(2) atom. There are three inequivalent O sites. In the first O site, O(3) is bonded in a single-bond geometry to four equivalent K(1) and one C(1) atom. In the second O site, O(1) is bonded in a single-bond geometry to two equivalent K(1) and one H(1) atom. In the third O site, O(2) is bonded in a 2-coordinate geometry to two equivalent K(1), one C(1), and one H(1) atom. is represented by the CIF card [CIF]
data_KHCO3
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   5.589
_cell_length_b   5.589
_cell_length_c   11.050
_cell_angle_alpha   75.803
_cell_angle_beta   75.803
_cell_angle_gamma   72.813
_symmetry_Int_Tables_number   1
_cell_volume   314.118
_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
  K  K0  1  0.982  0.298  0.864  1.0
  K  K1  1  0.702  0.018  0.636  1.0
  K  K2  1  0.018  0.702  0.136  1.0
  K  K3  1  0.298  0.982  0.364  1.0
  H  H4  1  0.385  0.581  0.646  1.0
  H  H5  1  0.419  0.615  0.854  1.0
  H  H6  1  0.615  0.419  0.354  1.0
  H  H7  1  0.581  0.385  0.146  1.0
  C  C8  1  0.091  0.456  0.550  1.0
  C  C9  1  0.544  0.909  0.950  1.0
  C  C10  1  0.909  0.544  0.450  1.0
  C  C11  1  0.456  0.091  0.050  1.0
  O  O12  1  0.547  0.545  0.682  1.0
  O  O13  1  0.455  0.453  0.818  1.0
  O  O14  1  0.453  0.455  0.318  1.0
  O  O15  1  0.545  0.547  0.182  1.0
  O  O16  1  0.140  0.636  0.585  1.0
  O  O17  1  0.364  0.860  0.915  1.0
  O  O18  1  0.860  0.364  0.415  1.0
  O  O19  1  0.636  0.140  0.085  1.0
  O  O20  1  0.173  0.221  0.590  1.0
  O  O21  1  0.779  0.827  0.910  1.0
  O  O22  1  0.827  0.779  0.410  1.0
  O  O23  1  0.221  0.173  0.090  1.0
[/CIF]
.
The crystal structure described by KHCO3 crystallizes in the monoclinic C2/c space group. K(1) is bonded in a 8-coordinate geometry to two equivalent O(1), two equivalent O(2), and four equivalent O(3) atoms. C(1) is bonded in a distorted bent 120 degrees geometry to one O(2) and one O(3) atom. H(1) is bonded in a linear geometry to one O(1) and one O(2) atom. There are three inequivalent O sites. In the first O site, O(3) is bonded in a single-bond geometry to four equivalent K(1) and one C(1) atom. In the second O site, O(1) is bonded in a single-bond geometry to two equivalent K(1) and one H(1) atom. In the third O site, O(2) is bonded in a 2-coordinate geometry to two equivalent K(1), one C(1), and one H(1) atom. is represented by the CIF card [CIF]
data_KHCO3
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   5.589
_cell_length_b   5.589
_cell_length_c   11.050
_cell_angle_alpha   75.803
_cell_angle_beta   75.803
_cell_angle_gamma   72.813
_symmetry_Int_Tables_number   1
_cell_volume   314.118
_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
  K  K0  1  0.982  0.298  0.864  1.0
  K  K1  1  0.702  0.018  0.636  1.0
  K  K2  1  0.018  0.702  0.136  1.0
  K  K3  1  0.298  0.982  0.364  1.0
  H  H4  1  0.385  0.581  0.646  1.0
  H  H5  1  0.419  0.615  0.854  1.0
  H  H6  1  0.615  0.419  0.354  1.0
  H  H7  1  0.581  0.385  0.146  1.0
  C  C8  1  0.091  0.456  0.550  1.0
  C  C9  1  0.544  0.909  0.950  1.0
  C  C10  1  0.909  0.544  0.450  1.0
  C  C11  1  0.456  0.091  0.050  1.0
  O  O12  1  0.547  0.545  0.682  1.0
  O  O13  1  0.455  0.453  0.818  1.0
  O  O14  1  0.453  0.455  0.318  1.0
  O  O15  1  0.545  0.547  0.182  1.0
  O  O16  1  0.140  0.636  0.585  1.0
  O  O17  1  0.364  0.860  0.915  1.0
  O  O18  1  0.860  0.364  0.415  1.0
  O  O19  1  0.636  0.140  0.085  1.0
  O  O20  1  0.173  0.221  0.590  1.0
  O  O21  1  0.779  0.827  0.910  1.0
  O  O22  1  0.827  0.779  0.410  1.0
  O  O23  1  0.221  0.173  0.090  1.0
[/CIF]
.