data_global _chemical_name_mineral 'Ferrierite-Na' loop_ _publ_author_name 'Gramlich-Meier R' 'Gramlich V' 'Meier W M' _journal_name_full 'American Mineralogist' _journal_volume 70 _journal_year 1985 _journal_page_first 619 _journal_page_last 623 _publ_section_title ; The crystal structure of the monoclinic variety of ferrierite ; _database_code_amcsd 0000995 _chemical_compound_source 'Altoona, Washinton, USA' _chemical_formula_sum '(Na1.5 K.5) Mg.25 (Si15.498 Al2.502) O42.5 H13' _cell_length_a 18.886 _cell_length_b 14.182 _cell_length_c 7.470 _cell_angle_alpha 90 _cell_angle_beta 90.0 _cell_angle_gamma 90 _cell_volume 2000.774 _exptl_crystal_density_diffrn 2.085 _symmetry_space_group_name_H-M 'P 1 21/n 1' loop_ _space_group_symop_operation_xyz 'x,y,z' '1/2+x,1/2-y,1/2+z' '1/2-x,1/2+y,1/2-z' '-x,-y,-z' loop_ _atom_site_label _atom_site_fract_x _atom_site_fract_y _atom_site_fract_z _atom_site_occupancy NaI 0.49900 0.27310 -0.01200 0.75000 KI 0.49900 0.27310 -0.01200 0.25000 MgIII 0.50000 0.50000 0.00000 0.25000 Si11 0.15480 0.00580 0.00040 0.86100 Al11 0.15480 0.00580 0.00040 0.13900 Si21 0.08200 0.20550 0.00260 0.86100 Al21 0.08200 0.20550 0.00260 0.13900 Si22 0.41430 0.30560 0.50540 0.86100 Al22 0.41430 0.30560 0.50540 0.13900 Si31 0.27380 0.00580 0.29350 0.86100 Al31 0.27380 0.00580 0.29350 0.13900 Si32 0.27470 0.00570 0.70890 0.86100 Al32 0.27470 0.00570 0.70890 0.13900 Si41 0.32450 0.20830 0.21500 0.86100 Al41 0.32450 0.20830 0.21500 0.13900 Si42 0.17560 0.30310 0.29830 0.86100 Al42 0.17560 0.30310 0.29830 0.13900 Si43 0.31760 0.21240 0.79960 0.86100 Al43 0.31760 0.21240 0.79960 0.13900 Si44 0.16780 0.30580 0.71190 0.86100 Al44 0.16780 0.30580 0.71190 0.13900 O11 -0.00170 0.20880 0.03400 1.00000 O21 0.25180 0.00500 0.50100 1.00000 O31 0.10690 0.09750 -0.01500 1.00000 O32 0.39930 0.41580 0.48700 1.00000 O41 0.20290 0.00800 0.18100 1.00000 O42 0.20410 -0.00200 -0.17600 1.00000 O51 0.25060 0.25500 0.27900 1.00000 O52 0.23960 0.25400 -0.23600 1.00000 O61 0.34030 0.23060 0.00900 1.00000 O62 0.14820 0.28990 0.50400 1.00000 O71 0.11750 0.25350 0.17600 1.00000 O72 0.38980 0.25200 0.32600 1.00000 O73 0.37740 0.26340 -0.31800 1.00000 O74 0.10230 0.26190 -0.17700 1.00000 O81 0.32370 0.09690 0.24500 1.00000 O82 0.17900 0.41320 0.24800 1.00000 O83 0.31830 0.09970 -0.23800 1.00000 O84 0.17070 0.41610 -0.24500 1.00000 WatII 0.40200 0.44100 0.00200 0.50000 WatII* 0.09600 0.07100 0.50500 0.50000 WatIV 0.00000 -0.00700 -0.26700 0.50000 WatV 0.48700 0.11300 0.04000 0.50000 WatVI 0.45100 0.04900 -0.03100 0.50000 WatVII 0.49000 0.07200 -0.22000 0.25000 WatVIII 0.50000 0.04800 0.25000 0.25000 WatIX 0.50000 0.05300 0.40000 0.25000 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 NaI 0.01200 0.18000 0.04500 0.01000 0.00000 0.02000 KI 0.01200 0.18000 0.04500 0.01000 0.00000 0.02000 MgIII 0.03000 0.50000 0.19000 -0.13000 -0.01000 0.00000 Si11 0.01300 0.01500 0.01600 -0.00500 0.00100 -0.00100 Al11 0.01300 0.01500 0.01600 -0.00500 0.00100 -0.00100 Si21 0.00700 0.01400 0.01600 0.00100 0.00000 0.00400 Al21 0.00700 0.01400 0.01600 0.00100 0.00000 0.00400 Si22 0.01500 0.01800 0.01400 -0.00300 0.00300 0.00000 Al22 0.01500 0.01800 0.01400 -0.00300 0.00300 0.00000 Si31 0.02100 0.01400 0.01800 0.00600 -0.00200 0.00400 Al31 0.02100 0.01400 0.01800 0.00600 -0.00200 0.00400 Si32 0.02100 0.01500 0.01600 -0.00200 0.00500 -0.00500 Al32 0.02100 0.01500 0.01600 -0.00200 0.00500 -0.00500 Si41 0.01700 0.01200 0.02400 -0.00300 -0.00700 -0.00200 Al41 0.01700 0.01200 0.02400 -0.00300 -0.00700 -0.00200 Si42 0.02100 0.01500 0.01500 -0.00400 0.00600 0.00000 Al42 0.02100 0.01500 0.01500 -0.00400 0.00600 0.00000 Si43 0.01600 0.01700 0.01900 0.00100 0.00600 0.00100 Al43 0.01600 0.01700 0.01900 0.00100 0.00600 0.00100 Si44 0.01400 0.00700 0.02100 -0.00100 0.00000 0.00200 Al44 0.01400 0.00700 0.02100 -0.00100 0.00000 0.00200 O11 0.01300 0.04900 0.05000 -0.00300 0.00200 0.00500 O21 0.03700 0.04900 0.01900 -0.01000 0.00500 0.00000 O31 0.04000 0.02500 0.05000 0.01600 -0.00200 0.00700 O32 0.04000 0.01200 0.08000 0.00800 0.01700 0.00700 O41 0.04200 0.06700 0.03300 0.03000 -0.01200 0.00000 O42 0.03800 0.06400 0.03400 -0.01000 0.01500 0.00000 O51 0.04200 0.03400 0.05000 0.01300 0.01500 -0.00700 O52 0.02300 0.03900 0.06400 0.01000 -0.01200 -0.00200 O61 0.03800 0.03500 0.03000 -0.01900 0.00200 -0.00300 O62 0.05500 0.03200 0.01300 -0.00400 0.00300 -0.00600 O71 0.05000 0.05500 0.02900 -0.01300 -0.00600 0.00100 O72 0.05400 0.03300 0.03000 -0.00800 -0.00900 -0.01200 O73 0.05000 0.04300 0.03300 0.00300 0.01000 0.00900 O74 0.04900 0.02300 0.03400 -0.01100 0.00500 0.01000 O81 0.06000 0.01800 0.05000 -0.00800 0.01100 0.00500 O82 0.03000 0.01600 0.05000 0.00600 0.01200 0.00500 O83 0.03000 0.02400 0.05000 0.00300 -0.00100 0.02000 O84 0.04000 0.00900 0.05000 -0.01200 -0.00700 0.00300 WatII 0.02000 0.08000 0.07000 -0.01000 0.01000 0.00000 WatII' 0.11000 0.10000 0.05000 -0.05000 0.00000 0.00000 WatIV 0.03000 0.25000 0.09000 -0.01000 0.00000 0.10000 WatV 0.03000 0.80000 0.60000 0.09000 -0.12000 -0.20000 WatVI 0.15000 0.40000 0.35000 0.22000 -0.13000 -0.20000 WatVII 0.08000 0.05000 0.19000 0.01000 0.00000 0.06000 WatVIII 0.17000 0.30000 0.23000 -0.02000 0.00000 -0.24000 WatIX 0.14000 0.09000 0.30000 -0.04000 0.13000 -0.13000