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 = 6.57 GPa ; _database_code_amcsd 0004377 _chemical_formula_sum 'K D C O3' _cell_length_a 6.0564 _cell_length_b 5.2610 _cell_length_c 4.2047 _cell_angle_alpha 95.293 _cell_angle_beta 100.438 _cell_angle_gamma 108.689 _cell_volume 123.174 _exptl_crystal_density_diffrn 2.726 _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 0.29900 0.12900 0.29600 D 0.08400 0.70700 0.53200 C 0.23090 0.57300 0.90800 O1 0.21000 0.77500 0.74700 O2 0.11000 0.33200 0.77600 O3 0.37600 0.64000 0.17800