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 = 315 K ; _database_code_amcsd 0001919 _chemical_formula_sum '(Si6.84 Al2.16) Ca.99 Na.44 O25.08 H14.16' _cell_length_a 13.6334 _cell_length_b 18.2443 _cell_length_c 17.8449 _cell_angle_alpha 90 _cell_angle_beta 90.320 _cell_angle_gamma 90 _cell_volume 4438.526 _exptl_crystal_density_diffrn 2.142 _symmetry_space_group_name_H-M 'F 1 2/m 1' loop_ _space_group_symop_operation_xyz 'x,y,z' 'x,1/2+y,1/2+z' '1/2+x,y,1/2+z' '1/2+x,1/2+y,z' 'x,-y,z' 'x,1/2-y,1/2+z' '1/2+x,-y,1/2+z' '1/2+x,1/2-y,z' '-x,y,-z' '-x,1/2+y,1/2-z' '1/2-x,y,1/2-z' '1/2-x,1/2+y,-z' '-x,-y,-z' '-x,1/2-y,1/2-z' '1/2-x,-y,1/2-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 Si1 0.36170 0.30670 0.12550 0.76000 0.02300 Al1 0.36170 0.30670 0.12550 0.24000 0.02300 Si2 0.13700 0.31080 0.12550 0.76000 0.02300 Al2 0.13700 0.31080 0.12550 0.24000 0.02300 Si3 -0.05360 0.09010 0.24480 0.76000 0.02300 Al3 -0.05360 0.09010 0.24480 0.24000 0.02300 Si4 -0.13580 0.31490 0.25000 0.76000 0.02300 Al4 -0.13580 0.31490 0.25000 0.24000 0.02300 Si5 0.00000 0.24870 0.00000 0.76000 0.02300 Al5 0.00000 0.24870 0.00000 0.24000 0.02300 Ca 0.23730 0.00000 0.04330 0.99000 0.09200 Na 0.47360 0.05630 0.02700 0.22000 0.09200 O1 0.42080 0.30460 0.04490 1.00000 0.03600 O2 0.06080 0.30510 0.05580 1.00000 0.03600 O3 -0.12980 0.27200 0.16960 1.00000 0.03600 O4 -0.10710 0.11700 0.16830 1.00000 0.03600 O5 0.11700 0.23760 0.17710 1.00000 0.03600 O6 0.10920 0.37920 0.18080 1.00000 0.03600 O7 0.25070 0.31810 0.09850 1.00000 0.03600 O8 0.06360 0.11140 0.25030 1.00000 0.03600 O9 -0.07630 0.00000 0.23940 1.00000 0.03600 O10 -0.25000 0.34510 0.25000 1.00000 0.03600 Wat1 0.08500 0.08900 0.06000 0.41000 0.11200 Wat2 0.28800 0.13000 0.06000 1.00000 0.11200 Wat3 0.18300 0.00000 0.19000 1.00000 0.11200 Wat4 0.40400 0.00000 0.10900 1.00000 0.11200 Wat5 0.38300 0.50000 0.07500 0.66000 0.11200 Wat6 0.13800 0.50000 0.04600 0.87000 0.11200 Wat8 0.22700 0.00000 -0.09400 0.73000 0.11200