data_global _amcsd_formula_title 'K2TiSi3O9*(H2O)' loop_ _publ_author_name 'Dadachov M' 'Le Bail A' _journal_name_full 'European Journal of Solid State and Inorganic Chemistry' _journal_volume 34 _journal_year 1997 _journal_page_first 381 _journal_page_last 390 _publ_section_title ; Structure of zeolitic K2TiSi3O9*(H2O) determined ab initio from powder diffraction data _cod_database_code 1000136 ; _database_code_amcsd 0012608 _chemical_formula_sum 'Ti K2 Si3 O10' _cell_length_a 7.1362 _cell_length_b 9.9084 _cell_length_c 12.9414 _cell_angle_alpha 90 _cell_angle_beta 90 _cell_angle_gamma 90 _cell_volume 915.065 _exptl_crystal_density_diffrn 2.688 _symmetry_space_group_name_H-M 'P 21 21 21' loop_ _space_group_symop_operation_xyz 'x,y,z' '-x,1/2+y,1/2-z' '1/2+x,1/2-y,-z' '1/2-x,-y,1/2+z' loop_ _atom_site_label _atom_site_fract_x _atom_site_fract_y _atom_site_fract_z Ti 0.74170 0.04500 0.28900 K1 0.79430 0.43140 0.58040 K2 0.34660 0.20620 0.13540 Si1 0.77290 0.04100 0.54720 Si2 0.99190 0.32160 0.32710 Si3 0.57580 0.35660 0.32960 O1 0.94860 0.16550 0.30340 O2 0.79810 0.39820 0.34660 O3 0.57680 0.19860 0.31450 O4 0.62760 0.16000 0.57430 O5 0.51850 0.94130 0.26090 O6 0.74450 0.92630 0.63230 O7 0.98610 0.10300 0.56010 O8 0.89930 0.89140 0.26850 O9 0.73020 0.98730 0.43370 O10 0.38040 0.18630 0.92740