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 = 6.02 GPa ; _database_code_amcsd 0004376 _chemical_formula_sum 'K D C O3' _cell_length_a 6.0938 _cell_length_b 5.2765 _cell_length_c 4.2139 _cell_angle_alpha 95.306 _cell_angle_beta 100.539 _cell_angle_gamma 108.786 _cell_volume 124.432 _exptl_crystal_density_diffrn 2.699 _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 0.30500 0.13400 0.29600 D 0.08550 0.70560 0.53900 C 0.23220 0.57390 0.90900 O1 0.21110 0.77790 0.74800 O2 0.11100 0.33250 0.77600 O3 0.37430 0.64030 0.17900