data_global _chemical_name_mineral 'Chabazite-Ca' loop_ _publ_author_name 'Smith J V' 'Rinaldi F' 'Dent Glasser L S' _journal_name_full 'Acta Crystallographica' _journal_volume 16 _journal_year 1963 _journal_page_first 45 _journal_page_last 53 _publ_section_title ; Crystal structures with a chabazite framework. II. Hydrated Ca-chabazite at room temperature ; _database_code_amcsd 0017691 _chemical_compound_source 'Synthetic' _chemical_formula_sum 'Ca1.95 (Al3.9 Si8.1) O37 H26' _cell_length_a 9.42 _cell_length_b 9.42 _cell_length_c 9.42 _cell_angle_alpha 94.28 _cell_angle_beta 94.28 _cell_angle_gamma 94.28 _cell_volume 828.534 _exptl_crystal_density_diffrn 2.062 _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 Ca1 0.35500 0.47800 0.58600 0.16250 Al1 0.10450 0.33400 0.87550 0.32500 Si1 0.10450 0.33400 0.87550 0.67500 O1 0.26200 -0.26200 0.00000 1.00000 O2 0.15800 -0.15800 0.50000 1.00000 O3 0.25200 0.25200 0.89700 1.00000 O4 0.02500 0.02500 0.32400 1.00000 Wat1 0.24400 0.24400 0.57100 1.00000 Wat2 0.20000 0.20000 0.20000 1.00000 Wat3 0.50000 0.50000 0.00000 1.00000 Wat4 0.41500 0.41500 0.41500 1.00000