data_global _chemical_name_mineral 'Epistilbite' loop_ _publ_author_name 'Perrotta A J' _journal_name_full 'Mineralogical Magazine' _journal_volume 36 _journal_year 1967 _journal_page_first 480 _journal_page_last 490 _publ_section_title ; The crystal structure of epistilbite ; _database_code_amcsd 0014448 _chemical_compound_source 'Teigarhorn, Iceland' _chemical_formula_sum 'Ca1.296 Na.53 K.05 (Al3.144 Si8.856) O31.87 H15.739' _cell_length_a 9.08 _cell_length_b 17.74 _cell_length_c 10.25 _cell_angle_alpha 90 _cell_angle_beta 124.54 _cell_angle_gamma 90 _cell_volume 1360.030 _exptl_crystal_density_diffrn 2.260 _symmetry_space_group_name_H-M 'C 1 2/m 1' loop_ _space_group_symop_operation_xyz 'x,y,z' '1/2+x,1/2+y,z' 'x,-y,z' '1/2+x,1/2-y,z' '-x,y,-z' '1/2-x,1/2+y,-z' '-x,-y,-z' '1/2-x,1/2-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 Ca 0.76000 0.00000 0.25100 0.64800 0.03293 Na 0.76000 0.00000 0.25100 0.26500 0.03293 K 0.76000 0.00000 0.25100 0.02500 0.03293 AlTA 0.00100 0.08800 0.16100 0.26200 0.00760 SiTA 0.00100 0.08800 0.16100 0.73800 0.00760 AlTB 0.29300 0.20800 0.39000 0.26200 0.01013 SiTB 0.29300 0.20800 0.39000 0.73800 0.01013 AlTC 0.70700 0.19700 0.09700 0.26200 0.01393 SiTC 0.70700 0.19700 0.09700 0.73800 0.01393 O1 0.02100 0.00000 0.21500 1.00000 0.01013 O2 0.00000 0.10000 0.00000 1.00000 0.02533 O3 0.81200 0.11700 0.13200 1.00000 0.02153 O4 0.17000 0.13400 0.30900 1.00000 0.01900 O5 0.50000 0.18000 0.00000 1.00000 0.03926 O6 0.50000 0.17900 0.50000 1.00000 0.01393 O7 0.75000 0.25000 0.00000 1.00000 0.05826 O8 0.77300 0.23300 0.26100 1.00000 0.05953 O9 0.25000 0.25000 0.50000 1.00000 0.05826 Wat1 0.72400 0.00000 0.50200 0.87440 0.06206 Wat2 0.00000 0.07800 0.50000 0.87440 0.06206 Wat3 0.55900 0.08200 0.28100 0.87440 0.05066 Wat4 0.50000 0.00000 0.00000 0.87440 0.04179