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 = 416 K
;
_database_code_amcsd 0001920
_chemical_formula_sum '(Si6.84 Al2.16) Ca.62 Na.72 O24.11 H12.22'
_cell_length_a 13.6520
_cell_length_b 18.1575
_cell_length_c 17.790
_cell_angle_alpha 90
_cell_angle_beta 90.227
_cell_angle_gamma 90
_cell_volume 4409.861
_exptl_crystal_density_diffrn      2.078
_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   0.35920   0.30340   0.12650   0.76000   0.02300
Al1   0.35920   0.30340   0.12650   0.24000   0.02300
Si2   0.13660   0.31320   0.12800   0.76000   0.02300
Al2   0.13660   0.31320   0.12800   0.24000   0.02300
Si3  -0.05090   0.08990   0.24270   0.76000   0.02300
Al3  -0.05090   0.08990   0.24270   0.24000   0.02300
Si4  -0.13580   0.31570   0.25050   0.76000   0.02300
Al4  -0.13580   0.31570   0.25050   0.24000   0.02300
Si5   0.00000   0.24470   0.00000   0.76000   0.02300
Al5   0.00000   0.24470   0.00000   0.24000   0.02300
Ca   0.24400   0.00000   0.03870   0.62000   0.09400
Na   0.33400   0.12200   0.08300   0.36000   0.09400
O1   0.41910   0.30420   0.04660   1.00000   0.04000
O2   0.05570   0.29670   0.06250   1.00000   0.04000
O3  -0.12060   0.27470   0.16930   1.00000   0.04000
O4  -0.11650   0.11930   0.17110   1.00000   0.04000
O5   0.12060   0.23800   0.17610   1.00000   0.04000
O6   0.10190   0.38070   0.18180   1.00000   0.04000
O7   0.24900   0.32560   0.09550   1.00000   0.04000
O8   0.06930   0.10920   0.24620   1.00000   0.04000
O9  -0.06440   0.00000   0.24940   1.00000   0.04000
O10  -0.25000   0.34870   0.25000   1.00000   0.04000
Wat1   0.11000   0.07400   0.07800   0.36000   0.12000
Wat2   0.25000   0.13900   0.05900   0.64000   0.12000
Wat3   0.19400   0.00000   0.19800   0.88000   0.12000
Wat4   0.41700   0.00000   0.07200   0.97000   0.12000
Wat5   0.38300   0.50000   0.08200   0.58000   0.12000
Wat6   0.11000   0.50000   0.05100   0.98000   0.12000
Wat8   0.21400   0.00000  -0.10000   0.70000   0.12000