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 Lady Hill ; _database_code_amcsd 0002001 _chemical_formula_sum '(Si14.34 Al3.66) Ca2 K O50.85 H29.7' _cell_length_a 13.339 _cell_length_b 13.339 _cell_length_c 15.112 _cell_angle_alpha 90 _cell_angle_beta 90 _cell_angle_gamma 120 _cell_volume 2328.623 _exptl_crystal_density_diffrn 2.088 _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 0.00120 0.23080 0.10580 0.93900 0.02700 Al1 0.00120 0.23080 0.10580 0.06100 0.02700 Si2 0.08710 0.41900 0.25000 0.51200 0.01500 Al2 0.08710 0.41900 0.25000 0.48800 0.01500 Ca1 0.33333 0.66667 0.11800 0.40000 0.09100 Ca2 0.33333 0.66667 0.94200 0.47000 0.08200 Ca3 0.66667 0.33333 0.22100 0.07000 0.04100 Ca4 0.50000 0.00000 0.00000 0.04000 0.09100 K 0.00000 0.00000 0.25000 1.00000 0.05100 O1 0.02950 0.34430 0.15840 1.00000 0.04400 O2 0.09910 0.19820 0.12850 1.00000 0.05200 O3 0.12660 0.25320 0.62840 1.00000 0.04400 O4 0.26450 0.00000 0.00000 1.00000 0.05100 O5 0.23140 0.46280 0.25000 1.00000 0.03300 O6 0.11050 0.55520 0.25000 1.00000 0.03500 Wat1 0.27050 0.54100 -0.06000 0.39000 0.06700 Wat1b 0.24390 0.48780 0.01540 0.46000 0.06700 Wat2 0.20500 0.41000 0.75000 0.31000 0.04800 Wat2b 0.25400 0.50800 0.69100 0.29000 0.04800 Wat3 0.44140 0.88280 0.91410 0.62000 0.04700 Wat3b 0.47000 -0.06000 0.02700 0.38000 0.04700 Wat3c 0.42050 0.84100 0.65860 0.18000 0.04700