The material described by KHCO3 crystallizes in the triclinic P-1 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 water-like 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 bent 120 degrees 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   3.651
_cell_length_b   5.591
_cell_length_c   7.808
_cell_angle_alpha   107.946
_cell_angle_beta   102.588
_cell_angle_gamma   90.869
_symmetry_Int_Tables_number   1
_cell_volume   147.371
_cell_formula_units_Z   2
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  0.293  0.175  0.332  1.0
  K  K1  1  0.707  0.825  0.668  1.0
  H  H2  1  0.460  0.294  0.970  1.0
  H  H3  1  0.540  0.706  0.030  1.0
  C  C4  1  0.143  0.378  0.763  1.0
  C  C5  1  0.857  0.622  0.237  1.0
  O  O6  1  0.103  0.703  0.386  1.0
  O  O7  1  0.897  0.297  0.614  1.0
  O  O8  1  0.277  0.207  0.845  1.0
  O  O9  1  0.723  0.793  0.155  1.0
  O  O10  1  0.273  0.607  0.841  1.0
  O  O11  1  0.727  0.393  0.159  1.0
[/CIF]
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The material described by KHCO3 crystallizes in the triclinic P-1 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 water-like 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 bent 120 degrees 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   3.651
_cell_length_b   5.591
_cell_length_c   7.808
_cell_angle_alpha   107.946
_cell_angle_beta   102.588
_cell_angle_gamma   90.869
_symmetry_Int_Tables_number   1
_cell_volume   147.371
_cell_formula_units_Z   2
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  0.293  0.175  0.332  1.0
  K  K1  1  0.707  0.825  0.668  1.0
  H  H2  1  0.460  0.294  0.970  1.0
  H  H3  1  0.540  0.706  0.030  1.0
  C  C4  1  0.143  0.378  0.763  1.0
  C  C5  1  0.857  0.622  0.237  1.0
  O  O6  1  0.103  0.703  0.386  1.0
  O  O7  1  0.897  0.297  0.614  1.0
  O  O8  1  0.277  0.207  0.845  1.0
  O  O9  1  0.723  0.793  0.155  1.0
  O  O10  1  0.273  0.607  0.841  1.0
  O  O11  1  0.727  0.393  0.159  1.0
[/CIF]
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