data_global _chemical_name_mineral 'Baylissite' loop_ _publ_author_name 'Bucat R B' 'Patrick J M' 'White A H' 'Willis A C' _journal_name_full 'Australian Journal of Chemistry' _journal_volume 30 _journal_year 1977 _journal_page_first 1379 _journal_page_last 1382 _publ_section_title ; Crystal structure of baylissite, K2Mg(CO3)2,4H2O ; _database_code_amcsd 0012056 _chemical_formula_sum 'K2 Mg C2 O10 H8' _cell_length_a 11.404 _cell_length_b 6.228 _cell_length_c 6.826 _cell_angle_alpha 90 _cell_angle_beta 99.66 _cell_angle_gamma 90 _cell_volume 477.936 _exptl_crystal_density_diffrn 2.047 _symmetry_space_group_name_H-M 'P 1 21/n 1' loop_ _space_group_symop_operation_xyz 'x,y,z' '1/2+x,1/2-y,1/2+z' '1/2-x,1/2+y,1/2-z' '-x,-y,-z' loop_ _atom_site_label _atom_site_fract_x _atom_site_fract_y _atom_site_fract_z K 0.18426 0.14410 0.41490 Mg 0.50000 0.00000 0.50000 C 0.17620 0.14940 0.92100 O1 0.14640 0.30320 1.02720 O2 0.27800 0.05850 0.96740 O3 0.10320 0.08460 0.76570 Wat1 0.44280 0.16580 0.73590 Wat2 0.40680 0.21560 0.29560 loop_ _atom_site_aniso_label _atom_site_aniso_U_11 _atom_site_aniso_U_22 _atom_site_aniso_U_33 _atom_site_aniso_U_12 _atom_site_aniso_U_13 _atom_site_aniso_U_23 K 0.02820 0.02270 0.02290 -0.00020 0.00840 0.00040 Mg 0.01600 0.01650 0.01630 0.00080 0.00360 0.00230 C 0.01790 0.01760 0.01770 -0.00230 0.00580 0.00170 O1 0.02030 0.01890 0.02160 0.00470 0.00370 -0.00490 O2 0.01860 0.02280 0.02720 0.00560 0.00560 -0.00060 O3 0.02650 0.02290 0.02000 0.00120 0.00410 -0.00450 Wat1 0.03500 0.02070 0.03320 0.00080 0.01940 0.00080 Wat2 0.01890 0.02290 0.02520 -0.00110 0.00260 0.00370