data_global _chemical_name_mineral 'NH4-Chabazite-K' loop_ _publ_author_name 'Gualtieri A F' 'Passaglia E' _journal_name_full 'European Journal of Mineralogy' _journal_volume 18 _journal_year 2006 _journal_page_first 351 _journal_page_last 359 _publ_section_title ; Rietveld structure refinement of NH4-exchanged natural chabazite ; _database_code_amcsd 0007150 _chemical_compound_source 'Wasson's Bluff, Two Islands, Nova Scotia, Canada' _chemical_formula_sum 'N2 H27.32 K.05 Ca.05 (Si8.52 Al3.48) O33.66' _cell_length_a 9.41709 _cell_length_b 9.41709 _cell_length_c 9.41709 _cell_angle_alpha 94.678 _cell_angle_beta 94.678 _cell_angle_gamma 94.678 _cell_volume 826.291 _exptl_crystal_density_diffrn 1.871 _symmetry_space_group_name_H-M 'R -3 m' loop_ _space_group_symop_operation_xyz 'x,y,z' '-x,-z,-y' '-z,-x,-y' 'y,x,z' 'y,z,x' '-z,-y,-x' '-x,-y,-z' 'x,z,y' 'z,x,y' '-y,-x,-z' '-y,-z,-x' 'z,y,x' 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 NC2a 0.24970 0.24970 0.24970 1.00000 0.07000 H1 0.18400 0.18400 0.18400 1.00000 0.08800 H2 0.30500 0.30500 0.19200 1.00000 0.08800 KC1 0.00000 0.00000 0.00000 0.05000 0.07000 CaC1 0.00000 0.00000 0.00000 0.05000 0.07000 SiT 0.10260 0.32990 0.87920 0.71000 0.01900 AlT 0.10260 0.32990 0.87920 0.29000 0.01900 O1 0.26250 -0.26250 0.00000 1.00000 0.02700 O2 0.14770 -0.14770 0.50000 1.00000 0.01500 O3 0.25330 0.25330 0.89560 1.00000 0.01200 O4 0.02760 0.02760 0.31280 1.00000 0.02500 Wat1 0.50000 0.50000 0.00000 0.48000 0.04700 Wat2a 0.27640 0.27640 0.53050 0.32000 0.05300 Wat3 0.20170 0.34520 0.51460 0.27000 0.04200 Wat4 0.36360 -0.36360 0.50000 0.18000 0.09400 Wat5a 0.53760 0.53760 0.27890 0.33000 0.05000