data_global _chemical_name_mineral 'Meionite' loop_ _publ_author_name 'Antao S M' 'Hassan I' _journal_name_full 'American Mineralogist' _journal_volume 93 _journal_year 2008 _journal_page_first 1470 _journal_page_last 1477 _publ_section_title ; Unusual Al-Si ordering in calcic scapolite, Me79.6, with increasing temperature T = 793 ; _database_code_amcsd 0004649 _chemical_formula_sum '(Ca3.176 Na.824) (Si7.32 Al4.68) C.834 S.146 O27.084' _cell_length_a 12.2618 _cell_length_b 12.2618 _cell_length_c 7.5841 _cell_angle_alpha 90 _cell_angle_beta 90 _cell_angle_gamma 90 _cell_volume 1140.282 _exptl_crystal_density_diffrn 2.697 _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 CaM 0.35800 0.28520 0.00000 0.79400 0.06000 NaM 0.35800 0.28520 0.00000 0.20600 0.06000 SiTl 0.16290 0.08820 0.00000 0.75000 0.02500 AlTl 0.16290 0.08820 0.00000 0.25000 0.02500 SiT2 0.15910 0.41610 0.20650 0.54000 0.02120 AlT2 0.15910 0.41610 0.20650 0.46000 0.02120 CA 0.50000 0.50000 0.00000 0.83400 0.04000 SA 0.50000 0.50000 0.00000 0.14600 0.04000 O1 0.04140 0.14560 0.00000 1.00000 0.04000 O2 0.18590 0.38140 0.00000 1.00000 0.04500 O3 0.44970 0.14920 0.21390 1.00000 0.05600 O4 0.26620 0.37210 0.66970 1.00000 0.04100 O5S 0.37000 0.57850 0.10810 0.07300 0.13700 O6C 0.59760 0.50760 0.00000 0.62500 0.13700