data_global _chemical_name_mineral 'Cancrinite' loop_ _publ_author_name 'Hassan I' 'Grundy H D' _journal_name_full 'The Canadian Mineralogist' _journal_volume 29 _journal_year 1991 _journal_page_first 377 _journal_page_last 383 _publ_section_title ; The crystal structure of basic cancrinite, ideally Na8[Al6Si6O24](OH)2.3H2O ; _database_code_amcsd 0005267 _chemical_formula_sum 'O14.35 Si3 Al3 Na4' _cell_length_a 12.664 _cell_length_b 12.664 _cell_length_c 5.159 _cell_angle_alpha 90 _cell_angle_beta 90 _cell_angle_gamma 120 _cell_volume 716.536 _exptl_crystal_density_diffrn 2.256 _symmetry_space_group_name_H-M 'P 63' loop_ _space_group_symop_operation_xyz 'x,y,z' 'x-y,x,1/2+z' '-y,x-y,z' '-x,-y,1/2+z' '-x+y,-x,z' 'y,-x+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 O1 0.20220 0.40340 0.66530 1.00000 ? O2 0.11840 0.56470 0.72690 1.00000 ? O3 0.02870 0.35310 0.05790 1.00000 ? O4 0.31900 0.36110 0.04210 1.00000 ? Si 0.32980 0.41250 0.75000 1.00000 ? Al 0.07640 0.41330 0.75150 1.00000 ? O51 0.05140 0.10870 0.67140 0.17000 0.02140 O52 0.05410 0.10960 0.93770 0.17000 0.02360 O5 0.00000 0.00000 0.69130 0.34000 0.03610 O6 0.61520 0.30970 0.68350 0.33000 ? Na1 0.66667 0.33333 0.12500 1.00000 ? Na2 0.13200 0.26690 0.28670 1.00000 ? 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 O1 0.01040 0.02520 0.01730 0.01160 -0.00020 0.00050 O2 0.02040 0.01410 0.03590 0.01060 0.00540 0.00400 O3 0.01720 0.02640 0.00740 0.01200 0.00370 0.00440 O4 0.02540 0.02670 0.01010 0.01970 0.00110 0.00260 Si 0.00890 0.00960 0.00790 0.00550 -0.00110 0.00030 Al 0.00710 0.00860 0.00840 0.00350 -0.00050 0.00110 O6 0.06370 0.06530 0.04710 0.02320 0.00560 0.00900 Na1 0.02180 0.02180 0.05670 0.01090 0.00000 0.00000 Na2 0.02860 0.05630 0.03860 0.02880 -0.00320 -0.00620