data_global _chemical_name_mineral 'Zeolite-L' loop_ _publ_author_name 'Sato M' 'Morikawa K' 'Kurosawa S' _journal_name_full 'European Journal of Mineralogy' _journal_volume 2 _journal_year 1990 _journal_page_first 851 _journal_page_last 859 _publ_section_title ; X-ray Rietveld analysis of cation exchanged zeolite-L (LTL) Sample: Ba-L ; _database_code_amcsd 0006407 _chemical_formula_sum 'K4.86 Ba1.14 Al6 Si30 O96.36 H36.72' _cell_length_a 18.361 _cell_length_b 18.361 _cell_length_c 7.525 _cell_angle_alpha 90 _cell_angle_beta 90 _cell_angle_gamma 120 _cell_volume 2196.999 _exptl_crystal_density_diffrn 2.214 _symmetry_space_group_name_H-M 'P 6/m m m' loop_ _space_group_symop_operation_xyz 'x,y,z' '-x,-x+y,z' 'x,x-y,-z' '-x+y,-x,-z' 'x-y,x,z' '-y,-x,z' 'y,x,-z' 'y,-x+y,-z' '-y,x-y,z' 'x-y,-y,z' '-x+y,y,-z' 'x,y,-z' '-x,-y,z' 'x,x-y,z' '-x,-x+y,-z' 'x-y,x,-z' '-x+y,-x,z' 'y,x,z' '-y,-x,-z' '-y,x-y,-z' 'y,-x+y,z' '-x+y,y,z' 'x-y,-y,-z' '-x,-y,-z' loop_ _atom_site_label _atom_site_fract_x _atom_site_fract_y _atom_site_fract_z _atom_site_occupancy _atom_site_U_iso_or_equiv K1 0.66667 0.33333 0.50000 0.93000 0.06839 K2 0.50000 0.00000 0.50000 1.00000 0.08232 Ba1 0.29800 0.00000 0.00000 0.18000 0.06839 Ba2 0.00000 0.00000 0.50000 0.06000 0.10132 AlT1 0.09400 0.36100 0.50000 0.50000 0.06966 SiT1 0.09400 0.36100 0.50000 0.50000 0.06966 SiT2 0.16710 0.50220 0.21760 1.00000 0.06079 O1 0.00000 0.27520 0.50000 1.00000 0.06206 O2 0.16480 0.33050 0.50000 1.00000 0.05319 O3 0.26590 0.53180 0.29200 1.00000 0.06966 O4 0.10730 0.42130 0.31240 1.00000 0.05319 O5 0.42130 0.84260 0.28160 1.00000 0.06459 O6 0.14650 0.47930 0.00000 1.00000 0.06713 Wat1 0.14050 0.28100 0.00000 0.90000 0.08866 Wat2 0.13450 0.00000 0.89600 0.42000 0.15198 Wat3 0.68300 0.56900 0.23000 0.16000 0.10132 Wat4 0.07000 0.14000 0.39500 0.34000 0.10132