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 = 4.10 GPa ; _database_code_amcsd 0004373 _chemical_formula_sum 'K D C O3' _cell_length_a 6.2435 _cell_length_b 5.3363 _cell_length_c 4.2448 _cell_angle_alpha 95.216 _cell_angle_beta 100.935 _cell_angle_gamma 109.167 _cell_volume 129.358 _exptl_crystal_density_diffrn 2.596 _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 0.30100 0.13000 0.29000 D 0.08800 0.70300 0.53900 C 0.23170 0.57350 0.91330 O1 0.20700 0.77400 0.75000 O2 0.11020 0.33140 0.77300 O3 0.37420 0.64100 0.18100