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 Tunguska ; _database_code_amcsd 0002003 _chemical_formula_sum '(Si13.746 Al4.254) Ca1.8 K.85 O51.36 H30.72' _cell_length_a 13.304 _cell_length_b 13.304 _cell_length_c 15.078 _cell_angle_alpha 90 _cell_angle_beta 90 _cell_angle_gamma 120 _cell_volume 2311.207 _exptl_crystal_density_diffrn 2.096 _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 0.00300 0.23320 0.10570 0.82300 0.03600 Al1 0.00300 0.23320 0.10570 0.17700 0.03600 Si2 0.09450 0.42270 0.25000 0.64500 0.02800 Al2 0.09450 0.42270 0.25000 0.35500 0.02800 Ca1 0.33333 0.66667 0.11300 0.16000 0.02600 Ca2 0.33333 0.66667 0.92630 0.55000 0.07200 Ca3 0.66667 0.33333 0.21900 0.13000 0.03300 Ca4 0.50000 0.00000 0.00000 0.04000 0.09500 K 0.00000 0.00000 0.25000 0.85000 0.03900 O1 0.02230 0.34530 0.66160 1.00000 0.02600 O2 0.09520 0.19040 0.12550 1.00000 0.04200 O3 0.12590 0.25180 0.63830 1.00000 0.05800 O4 0.26610 0.00000 0.00000 1.00000 0.04000 O5 0.22840 0.45680 0.25000 1.00000 0.05100 O6 0.07220 0.53610 0.25000 1.00000 0.06100 Wat1 0.24760 0.49520 0.02000 0.39000 0.12800 Wat2 0.24200 0.48400 0.75000 0.24000 0.14900 Wat2b 0.23800 0.47600 0.67800 0.46000 0.14900 Wat3 0.43370 0.86740 0.88200 0.74000 0.12800 Wat3b 0.53400 0.06900 0.00400 0.33000 0.12800 Wat3c 0.42100 0.84200 0.71100 0.19000 0.12800