data_global _amcsd_formula_title 'K2CO3*1.5H2O' loop_ _publ_author_name 'Skakle J M S' 'Wilson M' 'Feldman J' _journal_name_full 'Acta Crystallographica, Section E' _journal_volume 57 _journal_year 2001 _journal_page_first i94 _journal_page_last i97 _publ_section_title ; Dipotassium carbonate sesquihydrate: rerefinement against new intensity data ; _database_code_amcsd 0010365 _chemical_formula_sum 'K4 C2 O9 H6' _cell_length_a 11.8175 _cell_length_b 13.7466 _cell_length_c 7.1093 _cell_angle_alpha 90 _cell_angle_beta 120.7690 _cell_angle_gamma 90 _cell_volume 992.340 _exptl_crystal_density_diffrn 2.212 _symmetry_space_group_name_H-M 'C 1 2/c 1' loop_ _space_group_symop_operation_xyz 'x,y,z' '1/2+x,1/2+y,z' 'x,-y,1/2+z' '1/2+x,1/2-y,1/2+z' '-x,y,1/2-z' '1/2-x,1/2+y,1/2-z' '-x,-y,-z' '1/2-x,1/2-y,-z' loop_ _atom_site_label _atom_site_fract_x _atom_site_fract_y _atom_site_fract_z _atom_site_U_iso_or_equiv K1 0.00000 0.38193 0.25000 0.01984 K2 0.00000 0.68676 0.25000 0.02236 K3 0.35595 0.34998 0.45736 0.02332 C 0.19290 0.17350 0.15183 0.01595 O1 0.10641 0.22728 0.15315 0.02284 O2 0.29732 0.15119 0.33357 0.02139 O3 0.17704 0.14186 -0.03042 0.02750 O4 0.00000 -0.00112 0.25000 0.05090 H4A -0.05700 -0.03440 0.17200 0.04500 O5 0.14810 0.45886 0.08380 0.02970 H5A 0.17400 0.51480 0.13300 0.03600 H5B 0.18900 0.44500 0.04600 0.05400 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 K1 0.01877 0.02370 0.01575 0.00000 0.00789 0.00000 K2 0.02508 0.02663 0.01706 0.00000 0.01201 0.00000 K3 0.02465 0.02638 0.01752 0.00227 0.00978 0.00148 C 0.01650 0.01640 0.01410 -0.00080 0.00730 0.00020 O1 0.02190 0.02710 0.02120 0.00730 0.01220 0.00440 O2 0.01730 0.02370 0.01680 0.00210 0.00410 0.00180 O3 0.03140 0.03350 0.01770 0.00140 0.01270 -0.00590 O4 0.05090 0.02490 0.04420 0.00000 0.00070 0.00000 O5 0.03000 0.02330 0.04120 -0.00190 0.02210 -0.00340