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 = 219 K ; _database_code_amcsd 0018503 _chemical_compound_source 'Synthetic' _chemical_formula_sum 'K H C O3' _cell_length_a 15.1538 _cell_length_b 5.6186 _cell_length_c 3.6868 _cell_angle_alpha 90 _cell_angle_beta 104.356 _cell_angle_gamma 90 _cell_volume 304.104 _exptl_crystal_density_diffrn 2.187 _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 0.16561 0.03227 0.29500 H 0.01600 0.69400 -0.45100 C 0.11977 0.52253 -0.14404 O(1) 0.19336 0.54280 0.09426 O(2) 0.08305 0.32869 -0.27406 O(3) 0.07657 0.72763 -0.27523