The crystal structure described by KHCO3 crystallizes in the monoclinic P2_1/c space group. K(1) is bonded in a 8-coordinate geometry to two equivalent O(2), two equivalent O(3), and four equivalent O(1) atoms. 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 single-bond geometry to four equivalent K(1) and one C(1) atom. In the second O site, O(2) is bonded in a distorted bent 120 degrees geometry to two equivalent K(1), one C(1), and one H(1) atom. In the third O site, O(3) is bonded in a distorted water-like geometry to two equivalent K(1), one C(1), and one H(1) atom. is represented by the Crystallographic Information File (CIF) [CIF]
data_KHCO3
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   5.607
_cell_length_b   3.652
_cell_length_c   15.046
_cell_angle_alpha   75.595
_cell_angle_beta   90.000
_cell_angle_gamma   90.000
_symmetry_Int_Tables_number   1
_cell_volume   298.409
_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  0.525  0.961  0.666  1.0
  K  K1  1  0.025  0.039  0.834  1.0
  K  K2  1  0.475  0.039  0.334  1.0
  K  K3  1  0.975  0.961  0.166  1.0
  H  H4  1  0.191  0.516  0.515  1.0
  H  H5  1  0.691  0.484  0.985  1.0
  H  H6  1  0.809  0.484  0.485  1.0
  H  H7  1  0.309  0.516  0.015  1.0
  C  C8  1  0.016  0.615  0.619  1.0
  C  C9  1  0.516  0.385  0.881  1.0
  C  C10  1  0.984  0.385  0.381  1.0
  C  C11  1  0.484  0.615  0.119  1.0
  O  O12  1  0.032  0.709  0.694  1.0
  O  O13  1  0.532  0.291  0.806  1.0
  O  O14  1  0.968  0.291  0.306  1.0
  O  O15  1  0.468  0.709  0.194  1.0
  O  O16  1  0.821  0.558  0.581  1.0
  O  O17  1  0.321  0.442  0.919  1.0
  O  O18  1  0.179  0.442  0.419  1.0
  O  O19  1  0.679  0.558  0.081  1.0
  O  O20  1  0.223  0.570  0.577  1.0
  O  O21  1  0.723  0.430  0.923  1.0
  O  O22  1  0.777  0.430  0.423  1.0
  O  O23  1  0.277  0.570  0.077  1.0
[/CIF]
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The crystal structure described by KHCO3 crystallizes in the monoclinic P2_1/c space group. K(1) is bonded in a 8-coordinate geometry to two equivalent O(2), two equivalent O(3), and four equivalent O(1) atoms. 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 single-bond geometry to four equivalent K(1) and one C(1) atom. In the second O site, O(2) is bonded in a distorted bent 120 degrees geometry to two equivalent K(1), one C(1), and one H(1) atom. In the third O site, O(3) is bonded in a distorted water-like geometry to two equivalent K(1), one C(1), and one H(1) atom. is represented by the Crystallographic Information File (CIF) [CIF]
data_KHCO3
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   5.607
_cell_length_b   3.652
_cell_length_c   15.046
_cell_angle_alpha   75.595
_cell_angle_beta   90.000
_cell_angle_gamma   90.000
_symmetry_Int_Tables_number   1
_cell_volume   298.409
_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  0.525  0.961  0.666  1.0
  K  K1  1  0.025  0.039  0.834  1.0
  K  K2  1  0.475  0.039  0.334  1.0
  K  K3  1  0.975  0.961  0.166  1.0
  H  H4  1  0.191  0.516  0.515  1.0
  H  H5  1  0.691  0.484  0.985  1.0
  H  H6  1  0.809  0.484  0.485  1.0
  H  H7  1  0.309  0.516  0.015  1.0
  C  C8  1  0.016  0.615  0.619  1.0
  C  C9  1  0.516  0.385  0.881  1.0
  C  C10  1  0.984  0.385  0.381  1.0
  C  C11  1  0.484  0.615  0.119  1.0
  O  O12  1  0.032  0.709  0.694  1.0
  O  O13  1  0.532  0.291  0.806  1.0
  O  O14  1  0.968  0.291  0.306  1.0
  O  O15  1  0.468  0.709  0.194  1.0
  O  O16  1  0.821  0.558  0.581  1.0
  O  O17  1  0.321  0.442  0.919  1.0
  O  O18  1  0.179  0.442  0.419  1.0
  O  O19  1  0.679  0.558  0.081  1.0
  O  O20  1  0.223  0.570  0.577  1.0
  O  O21  1  0.723  0.430  0.923  1.0
  O  O22  1  0.777  0.430  0.423  1.0
  O  O23  1  0.277  0.570  0.077  1.0
[/CIF]
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