data_global _chemical_name_mineral 'Syngenite' loop_ _publ_author_name 'Corazza E' 'Sabelli C' _journal_name_full 'Zeitschrift fur Kristallographie' _journal_volume 124 _journal_year 1967 _journal_page_first 398 _journal_page_last 408 _publ_section_title ; The crystal structure of syngenite, K2Ca(SO4)2*(H2O) ; _database_code_amcsd 0010642 _chemical_compound_source 'Kalasz, Galicia' _chemical_formula_sum 'K2 Ca S2 O9 H2' _cell_length_a 9.77 _cell_length_b 7.15 _cell_length_c 6.25 _cell_angle_alpha 90 _cell_angle_beta 104.0 _cell_angle_gamma 90 _cell_volume 423.628 _exptl_crystal_density_diffrn 2.575 _symmetry_space_group_name_H-M 'P 1 21/m 1' loop_ _space_group_symop_operation_xyz 'x,y,z' 'x,1/2-y,z' '-x,1/2+y,-z' '-x,-y,-z' loop_ _atom_site_label _atom_site_fract_x _atom_site_fract_y _atom_site_fract_z _atom_site_U_iso_or_equiv K 0.33570 0.00680 0.19470 0.01710 Ca 0.96790 0.25000 0.33270 0.00595 S1 0.98970 0.25000 0.83960 0.00481 S2 0.63730 0.25000 0.26970 0.00836 O1 0.11910 0.25000 0.01670 0.01596 O2 0.22440 0.25000 0.50150 0.01330 O3 0.53220 0.25000 0.05860 0.01418 O4 0.56500 0.25000 0.44930 0.01887 O5 0.72960 0.08420 0.28370 0.01862 O6 0.86870 0.25000 0.94210 0.01520 O7 0.98130 0.08400 0.69590 0.01127 H 0.24300 0.35400 0.59700 0.06333