data_global _amcsd_formula_title 'KAl(CO3)(OH)2*H2O' loop_ _publ_author_name 'Fernandez-Carrasco L' 'Rius J' _journal_name_full 'European Journal of Mineralogy' _journal_volume 18 _journal_year 2006 _journal_page_first 99 _journal_page_last 104 _publ_section_title ; Synthesis and crystal structure determination of hydrated potassium dawsonite from powder diffraction data ; _database_code_amcsd 0007140 _chemical_formula_sum 'K Al C O6 H4' _cell_length_a 8.3312 _cell_length_b 11.2670 _cell_length_c 5.661 _cell_angle_alpha 90 _cell_angle_beta 90 _cell_angle_gamma 90 _cell_volume 531.385 _exptl_crystal_density_diffrn 2.226 _symmetry_space_group_name_H-M 'P n a 21' loop_ _space_group_symop_operation_xyz 'x,y,z' '1/2+x,1/2-y,z' '1/2-x,1/2+y,1/2+z' '-x,-y,1/2+z' loop_ _atom_site_label _atom_site_fract_x _atom_site_fract_y _atom_site_fract_z _atom_site_U_iso_or_equiv K 0.19320 0.22110 0.74270 0.06333 Al 0.49820 0.00470 0.00000 0.03420 C 0.44540 0.21640 0.26600 0.04053 O3 0.45670 0.16820 0.05920 0.04053 O4 0.45060 0.16040 0.46530 0.04053 O5 0.39630 0.32500 0.25780 0.04433 O-H1 0.65250 0.00290 0.24780 0.02533 O-H2 0.36040 -0.04060 0.25070 0.02533 Wat6 0.52510 0.54960 0.37250 0.06713