data_global
_amcsd_formula_title 'KHCO3'
loop_
_publ_author_name
'Allan D R'
'Marshall W G'
'Pulham C R'
_journal_name_full 'American Mineralogist'
_journal_volume 92 
_journal_year 2007
_journal_page_first 1018
_journal_page_last 1025
_publ_section_title
;
 The high-pressure crystal structure of
 potassium hydrogen carbonate (KHCO3)
 Sample: P = 5.5 GPa
;
_database_code_amcsd 0004363
_chemical_formula_sum 'K H C O3'
_cell_length_a 6.1443
_cell_length_b 5.2974
_cell_length_c 4.2133
_cell_angle_alpha 95.109
_cell_angle_beta 100.743
_cell_angle_gamma 108.934
_cell_volume 125.784
_exptl_crystal_density_diffrn      2.643
_symmetry_space_group_name_H-M 'P -1'
loop_
_space_group_symop_operation_xyz
  'x,y,z'
  '-x,-y,-z'
loop_
_atom_site_label
_atom_site_fract_x
_atom_site_fract_y
_atom_site_fract_z
K   0.29920   0.13430   0.29058
H   0.06590   0.69210   0.55240
C   0.23000   0.57370   0.90570
O1   0.20730   0.77740   0.74710
O2   0.10540   0.33260   0.76820
O3   0.36930   0.64050   0.17180