data_global _chemical_name_mineral 'Mordenite' loop_ _publ_author_name 'Passaglia E' 'Artioli G' 'Gualtieri A' 'Carnevali R' _journal_name_full 'European Journal of Mineralogy' _journal_volume 7 _journal_year 1995 _journal_page_first 429 _journal_page_last 438 _publ_section_title ; Diagenetic mordenite from Ponza, Italy ; _database_code_amcsd 0006588 _chemical_compound_source 'Ponza, Italy' _chemical_formula_sum 'K.66 Na.56 Ca.4 (Si9.96 Al2.04) O30.94 H13.88' _cell_length_a 18.109 _cell_length_b 20.485 _cell_length_c 7.523 _cell_angle_alpha 90 _cell_angle_beta 90 _cell_angle_gamma 90 _cell_volume 2790.753 _exptl_crystal_density_diffrn 2.138 _symmetry_space_group_name_H-M 'C m c m' loop_ _space_group_symop_operation_xyz 'x,y,z' '1/2+x,1/2+y,z' 'x,-y,1/2+z' '1/2+x,1/2-y,1/2+z' '-x,y,1/2-z' '1/2-x,1/2+y,1/2-z' '-x,y,z' '1/2-x,1/2+y,z' 'x,-y,-z' '1/2+x,1/2-y,-z' 'x,y,1/2-z' '1/2+x,1/2+y,1/2-z' '-x,-y,1/2+z' '1/2-x,1/2-y,1/2+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 KA 0.00000 0.50800 0.07700 0.33000 0.03000 NaA 0.00000 0.50800 0.07700 0.28000 0.03000 CaF 0.00000 0.47900 0.25000 0.40000 0.02300 SiT1 0.19000 0.42800 0.54300 0.83000 0.04900 AlT1 0.19000 0.42800 0.54300 0.17000 0.04900 SiT2 0.19900 0.18700 0.54200 0.83000 0.03000 AlT2 0.19900 0.18700 0.54200 0.17000 0.03000 SiT3 0.07900 0.38700 0.25000 0.83000 0.02600 AlT3 0.07900 0.38700 0.25000 0.17000 0.02600 SiT4 0.09000 0.23200 0.25000 0.83000 0.05000 AlT4 0.09000 0.23200 0.25000 0.17000 0.05000 O1 0.12800 0.39000 0.42800 1.00000 0.03100 O2 0.13000 0.19200 0.40700 1.00000 0.01000 O3 0.25800 0.37700 0.52400 1.00000 0.02900 O4 0.10100 0.31100 0.25000 1.00000 0.03800 O5 0.18600 0.20100 0.75000 1.00000 0.03400 O6 0.16500 0.42100 0.75000 1.00000 0.07900 O7 0.22300 0.50000 0.50000 1.00000 0.01700 O8 0.25000 0.25000 0.50000 1.00000 0.04500 O9 0.00000 0.42300 0.25000 1.00000 0.02000 O10 0.00000 0.23500 0.25000 1.00000 0.04500 Wat1 0.00000 0.02100 0.25000 0.46000 0.04500 Wat2 0.30000 0.25300 0.03200 0.55000 0.04500 Wat3 0.50000 0.44700 0.00000 0.63000 0.04500 Wat4 0.47800 0.08200 0.25000 0.53000 0.04500 Wat5 0.40800 0.53100 0.25000 0.98000 0.04500