data_global _chemical_name_mineral 'Mordenite' loop_ _publ_author_name 'Martucci A' 'Sacerdoti M' 'Cruciani G' 'Dalconi C' _journal_name_full 'European Journal of Mineralogy' _journal_volume 15 _journal_year 2003 _journal_page_first 485 _journal_page_last 493 _publ_section_title ; In situ time resolved synchrotron powder diffraction study of mordenite Sample: T = 830 C ; _database_code_amcsd 0006998 _chemical_formula_sum 'Na.547 O25.568 Si10.133 Al1.85 Fe.007 H3.136' _cell_length_a 18.029 _cell_length_b 20.308 _cell_length_c 7.493 _cell_angle_alpha 90 _cell_angle_beta 90 _cell_angle_gamma 90 _cell_volume 2743.434 _exptl_crystal_density_diffrn 1.839 _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 NaA 0.00000 0.50000 0.00000 0.54700 0.12300 WatA 0.00000 0.50000 0.00000 0.88000 0.12300 WatB 0.00000 0.55900 0.12500 0.10400 0.09000 WatC* 0.41000 0.17900 0.25000 0.10700 0.10700 WatD* 0.50000 0.28800 0.35000 0.13300 0.14200 SiT1 0.30300 0.07300 0.03800 0.84440 0.05800 AlT1 0.30300 0.07300 0.03800 0.15420 0.05800 FeT1 0.30300 0.07300 0.03800 0.00060 0.05800 SiT2 0.30800 0.30900 0.03900 0.84440 0.05800 AlT2 0.30800 0.30900 0.03900 0.15420 0.05800 FeT2 0.30800 0.30900 0.03900 0.00060 0.05800 SiT3 0.08900 0.38700 0.25000 0.84440 0.05800 AlT3 0.08900 0.38700 0.25000 0.15420 0.05800 FeT3 0.08900 0.38700 0.25000 0.00060 0.05800 SiT4 0.08400 0.22700 0.25000 0.84440 0.05800 AlT4 0.08400 0.22700 0.25000 0.15420 0.05800 FeT4 0.08400 0.22700 0.25000 0.00060 0.05800 O1 0.11900 0.41300 0.44200 1.00000 0.07900 O2 0.12000 0.19700 0.42900 1.00000 0.07900 O3 0.23400 0.12100 0.99300 1.00000 0.07900 O4 0.08500 0.30600 0.25000 1.00000 0.07900 O5 0.15800 0.19700 0.75000 1.00000 0.07900 O6 0.16700 0.42100 0.75000 1.00000 0.07900 O7 0.23000 0.50000 0.50000 1.00000 0.07900 O8 0.25000 0.25000 0.50000 1.00000 0.07900 O9 0.00000 0.41100 0.25000 1.00000 0.07900 O10 0.00000 0.19400 0.25000 1.00000 0.07900