data_global _chemical_name_mineral 'Stilbite-Ca' loop_ _publ_author_name 'Cruciani G' 'Artioli G' 'Gualtieri A' 'Stahl K' 'Hanson J C' _journal_name_full 'American Mineralogist' _journal_volume 82 _journal_year 1997 _journal_page_first 729 _journal_page_last 739 _publ_section_title ; Dehydration dynamics of stilbite using synchrotron X-ray powder diffraction Sample: at T = 441 K ; _database_code_amcsd 0001921 _chemical_formula_sum '(Si2.28 Al.72) Na.068 Ca.12 O6.69 H1.38' _cell_length_a 13.7200 _cell_length_b 17.6808 _cell_length_c 17.4461 _cell_angle_alpha 90 _cell_angle_beta 90 _cell_angle_gamma 90 _cell_volume 4232.085 _exptl_crystal_density_diffrn 1.867 _symmetry_space_group_name_H-M 'A m m a' loop_ _space_group_symop_operation_xyz 'x,y,z' 'x,1/2+y,1/2+z' '1/2+x,y,-z' '1/2+x,1/2+y,1/2-z' '1/2-x,-y,z' '1/2-x,1/2-y,1/2+z' 'x,-y,z' 'x,1/2-y,1/2+z' '-x,y,-z' '-x,1/2+y,1/2-z' '1/2-x,y,z' '1/2-x,1/2+y,1/2+z' '1/2+x,-y,-z' '1/2+x,1/2-y,1/2-z' '-x,-y,-z' '-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 Si1 0.13830 0.32890 0.13270 0.76000 0.03600 Al1 0.13830 0.32890 0.13270 0.24000 0.03600 Si1p 0.13720 0.28970 0.37820 0.76000 0.03600 Al1p 0.13720 0.28970 0.37820 0.24000 0.03600 Si3 0.04930 0.40840 0.27600 0.76000 0.03600 Al3 0.04930 0.40840 0.27600 0.24000 0.03600 Si4 0.13590 0.18640 0.23360 0.76000 0.03600 Al4 0.13590 0.18640 0.23360 0.24000 0.03600 Si5 0.00000 0.29350 0.00000 0.76000 0.03600 Al5 0.00000 0.29350 0.00000 0.24000 0.03600 Na1 0.25000 0.31500 0.08200 0.06000 0.07800 Ca1 0.25000 0.31500 0.08200 0.11000 0.07800 Na2 0.20500 0.00000 0.25100 0.04000 0.07800 Ca2 0.20500 0.00000 0.25100 0.07000 0.07800 Na4 0.25000 0.50000 0.11190 0.11000 0.07800 Ca4 0.25000 0.50000 0.11190 0.19000 0.07800 Na5 0.25000 0.50000 0.42200 0.10000 0.07800 Ca5 0.25000 0.50000 0.42200 0.17000 0.07800 O1 0.06730 0.34680 0.05770 1.00000 0.05200 O1p 0.06660 0.26680 0.45200 1.00000 0.05200 O3 0.12120 0.24170 0.16010 1.00000 0.05200 O3p 0.12320 0.21430 0.32250 1.00000 0.05200 O4 0.10150 0.38880 0.19550 1.00000 0.05200 O4p 0.12500 0.37400 0.33750 1.00000 0.05200 O7 0.25000 0.36350 0.11530 1.00000 0.05200 O7p 0.25000 0.27830 0.40510 1.00000 0.05200 O8 0.06520 0.11620 0.21040 1.00000 0.05200 O9 0.06720 0.50000 0.29790 1.00000 0.05200 O10 0.25000 0.15790 0.22650 1.00000 0.05200 Wat1 0.14200 0.00000 0.38900 0.49000 0.09000 Wat2 0.04430 0.00000 0.58510 1.00000 0.09000 Wat3 0.10700 0.00000 -0.05200 0.58000 0.09000