data_global _chemical_name_mineral 'Meionite' loop_ _publ_author_name 'Antao S M' 'Hassan I' 'Wang J' 'Lee P L' 'Toby B H' _journal_name_full 'The Canadian Mineralogist' _journal_volume 46 _journal_year 2008 _journal_page_first 1501 _journal_page_last 1509 _publ_section_title ; State-of-the-art high-resolution powder x-ray diffraction (HRPXRD) illustrated with Rietveld structure refinement of quartz, sodalite, tremolite, and meionite ; _database_code_amcsd 0006213 _chemical_compound_source 'Slyudyanka, Siberia, Russia' _chemical_formula_sum '(Ca3.248 Na.752) (Si6.84 Al5.16) O26.948 C.668 S.235' _cell_length_a 12.16559 _cell_length_b 12.16559 _cell_length_c 7.57446 _cell_angle_alpha 90 _cell_angle_beta 90 _cell_angle_gamma 90 _cell_volume 1121.032 _exptl_crystal_density_diffrn 2.742 _symmetry_space_group_name_H-M 'I 4/m' loop_ _space_group_symop_operation_xyz 'x,y,z' '1/2+x,1/2+y,1/2+z' 'y,-x,-z' '1/2+y,1/2-x,1/2-z' '-y,x,z' '1/2-y,1/2+x,1/2+z' 'x,y,-z' '1/2+x,1/2+y,1/2-z' '-x,-y,z' '1/2-x,1/2-y,1/2+z' '-y,x,-z' '1/2-y,1/2+x,1/2-z' 'y,-x,z' '1/2+y,1/2-x,1/2+z' '-x,-y,-z' '1/2-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_occupancy _atom_site_U_iso_or_equiv Ca 0.35870 0.28284 0.00000 0.81200 0.02370 Na 0.35870 0.28284 0.00000 0.18800 0.02370 Si1 0.16039 0.09216 0.00000 0.57000 0.01170 Al1 0.16039 0.09216 0.00000 0.43000 0.01170 Si2 0.16035 0.41298 0.20649 0.57000 0.01310 Al2 0.16035 0.41298 0.20649 0.43000 0.01310 O1 0.04120 0.15180 0.00000 1.00000 0.01620 O2 0.18610 0.37350 0.00000 1.00000 0.02110 O3 0.45120 0.14930 0.20630 1.00000 0.02300 O4 0.26620 0.36730 0.67450 1.00000 0.02280 O6 0.60060 0.51520 0.00000 0.50100 0.07200 O5 0.39310 0.48010 0.09990 0.11800 0.01600 C 0.50000 0.50000 0.00000 0.66800 0.01880 S 0.50000 0.50000 0.00000 0.23500 0.01880 loop_ _atom_site_aniso_label _atom_site_aniso_U_11 _atom_site_aniso_U_22 _atom_site_aniso_U_33 _atom_site_aniso_U_12 _atom_site_aniso_U_13 _atom_site_aniso_U_23 Ca 0.01540 0.02100 0.03460 0.00790 0.00000 0.00000 Na 0.02100 0.02100 0.03460 0.00790 0.00000 0.00000 Si1 0.01320 0.00960 -0.00010 0.00000 0.00000 0.00000 Al1 0.01320 0.00960 -0.00010 0.00000 0.00000 0.00000 Si2 0.01010 0.01530 0.01390 -0.00280 -0.00020 -0.00090 Al2 0.01010 0.01530 0.01390 -0.00280 -0.00020 -0.00090 O1 0.01900 0.00800 0.02100 0.01000 0.00000 0.00000 O2 0.02300 0.01900 0.02100 0.00400 0.00000 0.00000 O3 0.03500 0.02200 0.01200 0.00500 0.00800 0.00110 O4 0.02600 0.01260 0.03000 0.00380 0.00940 -0.00060 O6 0.08900 0.10600 0.02200 -0.02700 0.00000 0.00000 C 0.02400 0.02400 0.00800 0.00000 0.00000 0.00000 S 0.02400 0.02400 0.00800 0.00000 0.00000 0.00000