data_global
_chemical_name_mineral 'Kalicinite'
loop_
_publ_author_name
'Thomas J O'
'Tellgren R'
'Olovsson I'
_journal_name_full 'Acta Crystallographica, Section B'
_journal_volume 30 
_journal_year 1974
_journal_page_first 1155
_journal_page_last 1166
_publ_section_title
;
 Hydrogen-bond studies. LXXXIV. An X-ray diffraction study
 of the structures of KHCO3 and KDCO3 at 298, 219 and 95 K
 Note: T = 95 K
;
_database_code_amcsd 0018507
_chemical_compound_source 'Synthetic'
_chemical_formula_sum 'K D C O3'
_cell_length_a 15.1311
_cell_length_b 5.6054
_cell_length_c 3.6644
_cell_angle_alpha 90
_cell_angle_beta 103.953
_cell_angle_gamma 90
_cell_volume 301.629
_exptl_crystal_density_diffrn      2.227
_symmetry_space_group_name_H-M 'P 1 21/a 1'
loop_
_space_group_symop_operation_xyz
  'x,y,z'
  '1/2+x,1/2-y,z'
  '1/2-x,1/2+y,-z'
  '-x,-y,-z'
loop_
_atom_site_label
_atom_site_fract_x
_atom_site_fract_y
_atom_site_fract_z
K   0.16597   0.03652   0.29521
D   0.02000   0.69800  -0.44000
C   0.11996   0.52529  -0.14310
O(1)   0.19359   0.54843   0.09574
O(2)   0.08350   0.33109  -0.27406
O(3)   0.07649   0.73230  -0.27458