data_global _chemical_name_mineral 'Gismondine' loop_ _publ_author_name 'Vezzalini G' 'Quartieri S' 'Alberti A' _journal_name_full 'Zeolites' _journal_volume 13 _journal_year 1993 _journal_page_first 34 _journal_page_last 42 _publ_section_title ; Structural modifications induced by dehydration in the zeolite gismondine Sample: dehydration t = 24 hr ; _database_code_amcsd 0015869 _chemical_compound_source 'Montalto di Castro, Italy' _chemical_formula_sum 'Ca Al2 Si2 O10 H4' _cell_length_a 13.902 _cell_length_b 8.892 _cell_length_c 13.952 _cell_angle_alpha 90 _cell_angle_beta 90 _cell_angle_gamma 90 _cell_volume 1724.699 _exptl_crystal_density_diffrn 2.420 _symmetry_space_group_name_H-M 'P 21 21 21' loop_ _space_group_symop_operation_xyz 'x,y,z' '1/2-x,1/2+y,-z' '1/2+x,-y,1/2-z' '-x,1/2-y,1/2+z' loop_ _atom_site_label _atom_site_fract_x _atom_site_fract_y _atom_site_fract_z _atom_site_U_iso_or_equiv Ca1 0.82330 0.83660 0.13440 0.01600 Ca2 0.61050 0.07730 0.57550 0.02800 Al1 0.74800 0.74880 0.93060 0.01400 Al2 0.24560 0.76020 0.13890 0.01400 Al3 0.46480 0.10100 0.14190 0.01100 Al4 0.96460 0.11810 0.64650 0.01400 Si1 0.81190 0.98800 0.49950 0.01000 Si2 0.38100 0.50560 0.50190 0.01200 Si3 0.90120 0.13520 0.21430 0.01100 Si4 0.39850 0.14740 0.71740 0.01200 O1 0.73700 0.08100 0.43300 0.02100 O2 0.24000 0.09000 0.92300 0.01000 O3 0.30300 0.63700 0.51900 0.00600 O4 0.82900 0.65600 0.00500 0.01300 O5 0.87100 0.86000 0.43900 0.00900 O6 0.38000 0.89300 0.94800 0.01700 O7 0.91700 0.96600 0.25000 0.00800 O8 0.42500 0.97700 0.74900 0.02100 O9 0.00600 0.71400 0.33800 0.00800 O10 0.49500 0.70100 0.82100 0.01000 O11 0.86700 0.74200 0.69500 0.01200 O12 0.35100 0.76500 0.20700 0.01300 O13 0.54800 0.98400 0.09400 0.00800 O14 0.07000 0.02800 0.60300 0.01200 O15 0.82900 0.11600 0.12000 0.01500 O16 0.30700 0.12900 0.64600 0.01600 Wat1 0.99200 0.61100 0.57100 0.02900 Wat2 0.49600 0.64000 0.07200 0.04700 Wat3 0.81900 0.60400 0.23800 0.03000 Wat4 0.69100 0.88100 0.24600 0.03900