data_global _chemical_name_mineral 'Stilbite-Na' loop_ _publ_author_name 'Mortier W J' _journal_name_full 'American Mineralogist' _journal_volume 68 _journal_year 1983 _journal_page_first 414 _journal_page_last 419 _publ_section_title ; Thermal stability of the stilbite-type framework: crystal structure of the dehydrated sodium/ammonium exchange form ; _database_code_amcsd 0000894 _chemical_formula_sum 'Na2.984 Al4.67 Si13.07 O36' _cell_length_a 13.570 _cell_length_b 18.260 _cell_length_c 11.320 _cell_angle_alpha 90 _cell_angle_beta 126.96 _cell_angle_gamma 90 _cell_volume 2241.321 _exptl_crystal_density_diffrn 1.686 _symmetry_space_group_name_H-M 'C 1 2/m 1' loop_ _space_group_symop_operation_xyz 'x,y,z' '1/2+x,1/2+y,z' 'x,-y,z' '1/2+x,1/2-y,z' '-x,y,-z' '1/2-x,1/2+y,-z' '-x,-y,-z' '1/2-x,1/2-y,-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 Na1 0.23230 0.27800 -0.03390 0.18100 0.07726 Na2 0.00000 0.50000 0.50000 0.87000 ? Na3 0.38600 0.50000 0.27020 0.69500 ? Al1* 0.09600 0.20390 0.29180 0.02000 0.02533 Si1* 0.09600 0.20390 0.29180 0.05700 0.02533 Al2* 0.19360 0.29550 0.29540 0.01800 0.01520 Si2* 0.19360 0.29550 0.29540 0.04900 0.01520 Al1 0.99309 0.19272 0.25505 0.23500 ? Si1 0.99309 0.19272 0.25505 0.65700 ? Al2 0.26117 0.30682 0.25557 0.23700 ? Si2 0.26117 0.30682 0.25557 0.66200 ? Al3 0.20000 0.08843 0.49954 0.26300 ? Si3 0.20000 0.08843 0.49954 0.73700 ? Al4 0.11365 0.31659 0.50045 0.26300 ? Si4 0.11365 0.31659 0.50045 0.73700 ? Al5 0.00000 0.25007 0.00000 0.26300 ? Si5 0.00000 0.25007 0.00000 0.73700 ? O1 0.98040 0.19870 0.10180 1.00000 ? O2 0.12030 0.30210 0.10500 1.00000 ? O3 0.06170 0.26680 0.35570 1.00000 ? O4 0.06930 0.11890 0.35000 1.00000 ? O5 0.29270 0.25250 0.35350 1.00000 ? O6 0.28120 0.37900 0.35210 1.00000 ? O7 0.35130 0.21230 0.20540 1.00000 ? O8 0.31820 0.11030 0.49960 1.00000 ? O9 0.18710 0.00000 0.50280 1.00000 ? O10 0.00000 0.34600 0.50000 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 Na2 0.30854 0.10980 0.29222 0.00000 0.18235 0.00000 Na3 0.14236 0.10980 0.16372 0.00000 0.09838 0.00000 Al1 0.01948 0.02365 0.01882 0.00100 0.01352 0.00100 Si1 0.01948 0.02365 0.01882 0.00100 0.01352 0.00100 Al2 0.01400 0.02365 0.01782 0.00010 0.00879 -0.00100 Si2 0.01400 0.02365 0.01782 0.00010 0.00879 -0.00100 Al3 0.02770 0.01689 0.03187 -0.00171 0.01933 -0.00017 Si3 0.02770 0.01689 0.03187 -0.00171 0.01933 -0.00017 Al4 0.01989 0.02027 0.02524 -0.00120 0.01525 -0.00042 Si4 0.01989 0.02027 0.02524 -0.00120 0.01525 -0.00042 Al5 0.02073 0.03209 0.02060 0.00000 0.01232 0.00000 Si5 0.02073 0.03209 0.02060 0.00000 0.01232 0.00000 O1 0.05956 0.04561 0.04145 -0.01806 0.03975 -0.01171 O2 0.02502 0.04392 0.03938 -0.00401 0.00894 0.01004 O3 0.06612 0.04561 0.04477 -0.01304 0.03627 -0.01757 O4 0.04944 0.04223 0.04145 0.01204 0.02435 0.01255 O5 0.04765 0.04392 0.04394 0.00802 0.01789 0.01757 O6 0.05242 0.04392 0.04145 -0.00301 0.02683 -0.01422 O7 0.04348 0.08615 0.05803 -0.01204 0.03478 -0.01925 O8 0.04050 0.03209 0.05927 -0.00602 0.03528 -0.00167 O9 0.04944 0.02534 0.05969 0.00000 0.03776 0.00000 O10 0.03395 0.04223 0.05471 0.00000 0.03230 0.00000