data_global _chemical_name_mineral 'Cancrinite' loop_ _publ_author_name 'Fechtelkord M' 'Posnatzki B' 'Buhl J-C' 'Fyfe C A' 'Groat L A' 'Raudsepp M' _journal_name_full 'American Mineralogist' _journal_volume 86 _journal_year 2001 _journal_page_first 881 _journal_page_last 888 _publ_section_title ; Characterization of synthetic Cs-Li cancrinite grown in a butanediol-water system: An NMR spectroscopic and Rietveld refinement study ; _database_code_amcsd 0002658 _chemical_formula_sum 'Cs Li2.73 Al3 Si3 O16.64 H4.64' _cell_length_a 12.41595 _cell_length_b 12.41595 _cell_length_c 4.97019 _cell_angle_alpha 90 _cell_angle_beta 90 _cell_angle_gamma 120 _cell_volume 663.534 _exptl_crystal_density_diffrn 2.943 _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 Cs 0.33333 0.66667 0.27230 1.00000 0.03160 Li 0.16900 0.30840 0.24600 0.91000 0.02000 Al 0.08120 0.40900 0.75000 1.00000 0.00200 Si 0.34050 0.41540 0.77570 1.00000 0.00200 O1 0.20240 0.38310 0.67390 1.00000 0.00700 O2 0.13110 0.56630 0.77600 1.00000 0.00700 O3 0.04910 0.37200 0.09260 1.00000 0.00700 O4 0.31990 0.38740 0.11000 1.00000 0.00700 O-H21 0.89090 0.02290 0.75800 0.81000 0.04500 O-H22 0.07280 0.17340 0.11800 0.49000 0.04500 O-H1 0.00000 0.00000 0.00600 0.74000 0.01800