data_global _chemical_name_mineral 'Erionite-Ca' loop_ _publ_author_name 'Gualtieri A' 'Artioli G' 'Passaglia E' 'Bigi S' 'Viani A' 'Hanson J C' _journal_name_full 'American Mineralogist' _journal_volume 83 _journal_year 1998 _journal_page_first 590 _journal_page_last 606 _publ_section_title ; Crystal structure-crystal chemistry relationships in the zeolites erionite and offretite Sample from Agate Beach ; _database_code_amcsd 0002004 _chemical_formula_sum '(Si13.89 Al4.11) Ca1.36 Mg.4 K.87 O53.58 H35.16' _cell_length_a 13.289 _cell_length_b 13.289 _cell_length_c 15.079 _cell_angle_alpha 90 _cell_angle_beta 90 _cell_angle_gamma 120 _cell_volume 2306.151 _exptl_crystal_density_diffrn 2.149 _symmetry_space_group_name_H-M 'P 63/m m c' loop_ _space_group_symop_operation_xyz 'x,y,z' '-x,-x+y,1/2+z' 'x,x-y,1/2-z' '-x+y,-x,1/2-z' 'x-y,x,1/2+z' '-y,-x,z' 'y,x,-z' 'y,-x+y,-z' '-y,x-y,z' 'x-y,-y,1/2+z' '-x+y,y,1/2-z' 'x,y,1/2-z' '-x,-y,1/2+z' 'x,x-y,z' '-x,-x+y,-z' 'x-y,x,-z' '-x+y,-x,z' 'y,x,1/2+z' '-y,-x,1/2-z' '-y,x-y,1/2-z' 'y,-x+y,1/2+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 Si1 -0.00050 0.23320 0.10150 0.83000 0.03100 Al1 -0.00050 0.23320 0.10150 0.17000 0.03100 Si2 0.08970 0.42490 0.25000 0.65500 0.04600 Al2 0.08970 0.42490 0.25000 0.34500 0.04600 Ca1 0.33333 0.66667 0.11370 0.30000 0.08500 Ca2 0.33333 0.66667 0.90470 0.22000 0.07900 Ca3 0.66667 0.33333 0.17700 0.16000 0.02000 Mg 0.66667 0.33333 0.04900 0.20000 0.01800 K 0.00000 0.00000 0.25000 0.87000 0.01700 O1 0.01750 0.33050 0.67520 1.00000 0.05700 O2 0.09150 0.18300 0.11760 1.00000 0.06400 O3 0.11010 0.22020 0.63710 1.00000 0.06200 O4 0.26930 0.00000 0.00000 1.00000 0.01900 O5 0.23290 0.46580 0.25000 1.00000 0.08800 O6 0.03650 0.51820 0.25000 1.00000 0.05200 Wat1 0.24500 0.49000 0.10600 0.33000 0.16200 Wat2b 0.26580 0.53160 0.70090 0.86000 0.13500 Wat3 0.42200 0.84400 0.89700 0.90000 0.10700 Wat3b 0.46900 -0.60200 0.07300 0.30000 0.10700 Wat3c 0.44100 0.88200 0.78900 0.24000 0.10700